Showing metabocard for trans-Aconitic acid (BMDB0000958)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesenzymes (176) Show 176 proteinsXML
Record Information
Version1.0
Creation Date2016-09-30 22:39:08 UTC
Update Date2020-06-04 21:44:05 UTC
BMDB IDBMDB0000958
Secondary Accession Numbers
  • BMDB00958
Metabolite Identification
Common Nametrans-Aconitic acid
Descriptiontrans-Aconitic acid, also known as trans-aconitate or (e)-aconitic acid, belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups. trans-Aconitic acid exists in all living species, ranging from bacteria to plants to humans. Based on a literature review a significant number of articles have been published on trans-Aconitic acid.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
(1E)-1-Propene-1,2,3-tricarboxylic acidChEBI
(e)-1-Propene-1,2,3-tricarboxylic acidChEBI
(1E)-1-Propene-1,2,3-tricarboxylateGenerator
(e)-1-Propene-1,2,3-tricarboxylateGenerator
trans-AconitateGenerator
(1E)-Prop-1-ene-1,2,3-tricarboxylicHMDB
(1E)1-Propene-1,2,3-tricarboxylateHMDB
(1E)1-Propene-1,2,3-tricarboxylic acidHMDB
(e)-Aconitic acidHMDB
1-Propene-1-trans-2,3-tricarboxylic acidHMDB
1-trans-Propene-1,2,3-tricarboxylic acidHMDB
AcidHMDB
TRAHMDB
trans-1-Propene-1,2,3-tricarboxylic acidHMDB
trans-Propene-1,2,3-tricarboxylic acidHMDB
Acid, aconiticHMDB
Acid, adonicHMDB
Acid, carboxyglutaconicHMDB
Acid, citridicHMDB
Adonic acidHMDB
Achilleic acidHMDB
Acid, aconticHMDB
Acid, pyrocitricHMDB
Carboxyglutaconic acidHMDB
Equisetic acidHMDB
Pyrocitric acidHMDB
Acid, achilleicHMDB
Acid, equiseticHMDB
AconitateHMDB
Citridic acidHMDB
Citridinic acidHMDB
Acid, citridinicHMDB
Aconitic acidHMDB
Acontic acidHMDB
Chemical FormulaC6H6O6
Average Molecular Weight174.1082
Monoisotopic Molecular Weight174.016437924
IUPAC Name(1E)-prop-1-ene-1,2,3-tricarboxylic acid
Traditional Nametrans aconitic acid
CAS Registry Number4023-65-8
SMILES
OC(=O)C\C(=C/C(O)=O)C(O)=O
InChI Identifier
InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1+
InChI KeyGTZCVFVGUGFEME-HNQUOIGGSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassTricarboxylic acids and derivatives
Direct ParentTricarboxylic acids and derivatives
Alternative Parents
Substituents
  • Tricarboxylic acid or derivatives
  • Carboxylic acid
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
StatusDetected and Quantified
Origin
  • Endogenous
BiofunctionNot Available
ApplicationNot Available
Cellular locations
  • Cytoplasm
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting Point187 - 191 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility472.5 mg/mLNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-0.41ALOGPS
logP-0.52ChemAxon
logS-1.4ALOGPS
pKa (Strongest Acidic)3.15ChemAxon
Physiological Charge-3ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area111.9 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity35.23 m³·mol⁻¹ChemAxon
Polarizability13.96 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Biological Properties
Cellular Locations
  • Cytoplasm
Biospecimen Locations
  • Mammary Gland
  • Ruminal Fluid
  • Semen
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
Mammary GlandDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal		 details
Mammary GlandDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal		 details
Ruminal FluidDetected and Quantified7000 uMAdultBothNormal details
SemenDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal		 details
Abnormal Concentrations
Not Available
HMDB IDHMDB0000958
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB008305
KNApSAcK IDC00052231
Chemspider ID392201
KEGG Compound IDC02341
BioCyc IDCPD-225
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound444212
PDB IDNot Available
ChEBI ID32806
References
Synthesis ReferenceGutierrez, Eddie N.; Lamberti, Vincent. Preparation of aconitic acid. U.S. (1978), 5 pp. CODEN: USXXAM US 4123459 19781031 CAN 90:103423 AN 1979:103423
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available

Only showing the first 50 proteins. There are 176 proteins in total.

Show all enzymes and transporters

Enzymes

Enzyme Details
1. ATP-dependent DNA helicase
General function:
Involved in ATP binding
Specific function:
Not Available
Gene Name:
RECQL
Uniprot ID:
A0JN36
Molecular weight:
73813.0
Enzyme Details
2. DNA polymerase delta interacting protein 3
General function:
Involved in nucleic acid binding
Specific function:
Not Available
Gene Name:
POLDIP3
Uniprot ID:
A7YW33
Molecular weight:
46122.0
Enzyme Details
3. Solute carrier family 7 (Cationic amino acid transporter, y+ system), member 3
General function:
Amino acid transport and metabolism
Specific function:
Not Available
Gene Name:
SLC7A3
Uniprot ID:
A0JNF2
Molecular weight:
67045.0
Enzyme Details
4. HNRNPD protein
General function:
Involved in nucleic acid binding
Specific function:
Not Available
Gene Name:
HNRNPD
Uniprot ID:
A6H6Y0
Molecular weight:
38448.0
Enzyme Details
5. MGC139164 protein
General function:
Amino acid transport and metabolism
Specific function:
Not Available
Gene Name:
MGC139164
Uniprot ID:
A6QNP6
Molecular weight:
68861.0
Enzyme Details
6. Zinc finger protein 775
General function:
Involved in nucleic acid binding
Specific function:
Not Available
Gene Name:
ZNF775
Uniprot ID:
A0JNI3
Molecular weight:
38550.0
Enzyme Details
7. ZNF404 protein
General function:
Involved in nucleic acid binding
Specific function:
Not Available
Gene Name:
ZNF404
Uniprot ID:
A6QQ61
Molecular weight:
58527.0
Enzyme Details
8. N6AMT1 protein
General function:
Translation, ribosomal structure and biogenesis
Specific function:
Not Available
Gene Name:
N6AMT1
Uniprot ID:
A4FV35
Molecular weight:
22930.0
Enzyme Details
9. Solute carrier family 10 (Sodium/bile acid cotransporter family), member 4
General function:
Involved in bile acid:sodium symporter activity
Specific function:
Not Available
Gene Name:
SLC10A4
Uniprot ID:
A0JNQ1
Molecular weight:
47122.0
Enzyme Details
10. ATP-dependent RNA helicase DDX1
General function:
Replication, recombination and repair
Specific function:
Not Available
Gene Name:
DDX1
Uniprot ID:
A7E3W7
Molecular weight:
83490.0
Enzyme Details
11. SUPV3L1 protein
General function:
Replication, recombination and repair
Specific function:
Not Available
Gene Name:
SUPV3L1
Uniprot ID:
A6QP28
Molecular weight:
58836.0
Enzyme Details
12. RAVER1 protein
General function:
Involved in nucleic acid binding
Specific function:
Not Available
Gene Name:
RAVER1
Uniprot ID:
A4FUZ2
Molecular weight:
75401.0
Enzyme Details
13. ZNF14 protein
General function:
Involved in nucleic acid binding
Specific function:
Not Available
Gene Name:
ZNF14
Uniprot ID:
A2VE73
Molecular weight:
72979.0
Enzyme Details
14. LOC100124511 protein
General function:
Involved in nucleic acid binding
Specific function:
Not Available
Gene Name:
LOC100124511
Uniprot ID:
A1A4K0
Molecular weight:
58643.0
Enzyme Details
15. DDX24 protein
General function:
Replication, recombination and repair
Specific function:
Not Available
Gene Name:
DDX24
Uniprot ID:
A6H7B6
Molecular weight:
94509.0
Enzyme Details
16. LBR protein
General function:
Involved in nucleic acid binding
Specific function:
Not Available
Gene Name:
LBR
Uniprot ID:
A6QQV8
Molecular weight:
71255.0
Enzyme Details
17. ZNF773 protein
General function:
Involved in nucleic acid binding
Specific function:
Not Available
Gene Name:
ZNF773
Uniprot ID:
A6QPU7
Molecular weight:
52412.0
Enzyme Details
18. LOC516156 protein
General function:
Involved in nucleic acid binding
Specific function:
Not Available
Gene Name:
ZNF331
Uniprot ID:
A6QNX0
Molecular weight:
56059.0
Enzyme Details
19. G-rich RNA sequence binding factor 1
General function:
Involved in nucleic acid binding
Specific function:
Not Available
Gene Name:
GRSF1
Uniprot ID:
A0JNI7
Molecular weight:
53052.0
Enzyme Details
20. ZBTB44 protein
General function:
Involved in nucleic acid binding
Specific function:
Not Available
Gene Name:
ZBTB44
Uniprot ID:
A6QNQ1
Molecular weight:
66198.0
Enzyme Details
21. PABPN1 protein
General function:
Involved in nucleic acid binding
Specific function:
Not Available
Gene Name:
PABPN1
Uniprot ID:
A2VE34
Molecular weight:
29488.0
Enzyme Details
22. MATR3 protein
General function:
Involved in nucleic acid binding
Specific function:
Not Available
Gene Name:
MATR3
Uniprot ID:
A4IF82
Molecular weight:
93825.0
Enzyme Details
23. Putative tRNA (cytidine(32)/guanosine(34)-2'-O)-methyltransferase
General function:
Translation, ribosomal structure and biogenesis
Specific function:
Methylates the 2'-O-ribose of nucleotides at positions 32 and 34 of the tRNA anticodon loop of substrate tRNAs.
Gene Name:
FTSJ1
Uniprot ID:
A0JNB8
Molecular weight:
33494.0
Enzyme Details
24. ZFP3 protein
General function:
Involved in nucleic acid binding
Specific function:
Not Available
Gene Name:
ZFP3
Uniprot ID:
A5PJK9
Molecular weight:
58337.0
Enzyme Details
25. Zinc finger protein 577
General function:
Involved in nucleic acid binding
Specific function:
Not Available
Gene Name:
ZNF577
Uniprot ID:
A1L563
Molecular weight:
12941.0
Enzyme Details
26. ZNF266 protein
General function:
Involved in nucleic acid binding
Specific function:
Not Available
Gene Name:
ZNF266
Uniprot ID:
A6QNY8
Molecular weight:
15341.0
Enzyme Details
27. RBM43 protein
General function:
Involved in nucleic acid binding
Specific function:
Not Available
Gene Name:
RBM43
Uniprot ID:
A6H711
Molecular weight:
38873.0
Enzyme Details
28. EGL nine (C.elegans) homolog 2
General function:
Posttranslational modification, protein turnover, chaperones
Specific function:
Not Available
Gene Name:
EGLN2
Uniprot ID:
A7E3S2
Molecular weight:
14148.0
Enzyme Details
29. FIZ1 protein
General function:
Involved in nucleic acid binding
Specific function:
Not Available
Gene Name:
FIZ1
Uniprot ID:
A6QNZ1
Molecular weight:
51934.0
Enzyme Details
30. SF3B2 protein
General function:
Involved in nucleic acid binding
Specific function:
Not Available
Gene Name:
SF3B2
Uniprot ID:
A4FV01
Molecular weight:
100354.0
Enzyme Details
31. DDX41 protein
General function:
Replication, recombination and repair
Specific function:
Not Available
Gene Name:
DDX41
Uniprot ID:
A3KN07
Molecular weight:
69814.0
Enzyme Details
32. SLC7A7 protein
General function:
Amino acid transport and metabolism
Specific function:
Not Available
Gene Name:
SLC7A7
Uniprot ID:
A6QPX4
Molecular weight:
52735.0
Enzyme Details
33. LOC100125388 protein
General function:
Involved in nucleic acid binding
Specific function:
Not Available
Gene Name:
LOC100125388
Uniprot ID:
A6QQC1
Molecular weight:
49132.0
Enzyme Details
34. Solute carrier family 1 member 4
General function:
Involved in neutral amino acid transmembrane transporte
Specific function:
Not Available
Gene Name:
SLC1A4
Uniprot ID:
A5HSH2
Molecular weight:
2767.0
Enzyme Details
35. Boule
General function:
Involved in nucleic acid binding
Specific function:
Not Available
Gene Name:
Not Available
Uniprot ID:
A7UEB3
Molecular weight:
32125.0
Enzyme Details
36. IKAROS family zinc finger 2
General function:
Involved in nucleic acid binding
Specific function:
Not Available
Gene Name:
IKZF2
Uniprot ID:
A0JNA9
Molecular weight:
24257.0
Enzyme Details
37. Gamma-aminobutyric acid (GABA) A receptor, beta 3
General function:
Involved in extracellular ligand-gated ion channel acti
Specific function:
Not Available
Gene Name:
GABRB3
Uniprot ID:
A1L501
Molecular weight:
39559.0
Enzyme Details
38. ZNF268 protein
General function:
Involved in nucleic acid binding
Specific function:
Not Available
Gene Name:
ZNF268
Uniprot ID:
A4IFT8
Molecular weight:
17202.0
Enzyme Details
39. THAP domain containing 6
General function:
Involved in nucleic acid binding
Specific function:
Not Available
Gene Name:
THAP6
Uniprot ID:
A6QR02
Molecular weight:
20811.0
Enzyme Details
40. RBM17 protein
General function:
Involved in nucleic acid binding
Specific function:
Not Available
Gene Name:
RBM17
Uniprot ID:
A7MB77
Molecular weight:
44946.0
Enzyme Details
41. Uncharacterized protein DKFZp686F02235
General function:
Involved in nucleic acid binding
Specific function:
Not Available
Gene Name:
DKFZp686F02235
Uniprot ID:
A5D9E0
Molecular weight:
54068.0
Enzyme Details
42. Zinc finger protein LOC509810
General function:
Involved in nucleic acid binding
Specific function:
Not Available
Gene Name:
LOC509810
Uniprot ID:
A0JN57
Molecular weight:
67925.0
Enzyme Details
43. THAP8 protein
General function:
Involved in nucleic acid binding
Specific function:
Not Available
Gene Name:
THAP8
Uniprot ID:
A6QQY1
Molecular weight:
28006.0
Enzyme Details
44. EXOSC10 protein
General function:
Translation, ribosomal structure and biogenesis
Specific function:
Not Available
Gene Name:
EXOSC10
Uniprot ID:
A7E323
Molecular weight:
80336.0
Enzyme Details
45. Trinucleotide repeat containing 4
General function:
Involved in nucleic acid binding
Specific function:
Not Available
Gene Name:
TNRC4
Uniprot ID:
A1L544
Molecular weight:
15629.0
Enzyme Details
46. POGK protein
General function:
Involved in nucleic acid binding
Specific function:
Not Available
Gene Name:
POGK
Uniprot ID:
A5PJT5
Molecular weight:
69377.0
Enzyme Details
47. SART3 protein
General function:
Involved in nucleic acid binding
Specific function:
Not Available
Gene Name:
SART3
Uniprot ID:
A7MB01
Molecular weight:
108824.0
Enzyme Details
48. ZNF583 protein
General function:
Involved in nucleic acid binding
Specific function:
Not Available
Gene Name:
ZNF583
Uniprot ID:
A3KN44
Molecular weight:
65489.0
Enzyme Details
49. DDX17 protein
General function:
Replication, recombination and repair
Specific function:
Not Available
Gene Name:
DDX17
Uniprot ID:
A7E396
Molecular weight:
38690.0
Enzyme Details
50. ZCCHC9 protein
General function:
Involved in nucleic acid binding
Specific function:
Not Available
Gene Name:
ZCCHC9
Uniprot ID:
A6H756
Molecular weight:
30473.0

Only showing the first 50 proteins. There are 176 proteins in total.

Show all enzymes and transporters