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Showing metabocard for Acetyl adenylate (BMDB0006880)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesenzymes (1) Show 1 proteinXML
Record Information
Version1.0
Creation Date2016-09-30 23:27:08 UTC
Update Date2020-05-21 16:28:42 UTC
BMDB IDBMDB0006880
Secondary Accession Numbers
  • BMDB06880
Metabolite Identification
Common NameAcetyl adenylate
DescriptionAcetyl adenylate, also known as acetyl AMP, belongs to the class of organic compounds known as 5'-acylphosphoadenosines. These are ribonucleoside derivatives containing an adenoside moiety, where the phosphate group is acylated. Acetyl adenylate is possibly soluble (in water) and a strong basic compound (based on its pKa). Acetyl adenylate exists in all living species, ranging from bacteria to humans. In cattle, acetyl adenylate is involved in the metabolic pathway called the pyruvate metabolism pathway.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
5'-AcetylphosphoadenosineKegg
Acetyl adenylic acidGenerator
5'-O-[Acetoxy(hydroxy)phosphoryl]adenosineHMDB
Acetyl AMPHMDB
AcetyladenylateHMDB
[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] acetateHMDB
Chemical FormulaC12H16N5O8P
Average Molecular Weight389.2579
Monoisotopic Molecular Weight389.073649025
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry Number13015-87-7
SMILESNot Available
InChI Identifier
InChI=1S/C12H16N5O8P/c1-5(18)25-26(21,22)23-2-6-8(19)9(20)12(24-6)17-4-16-7-10(13)14-3-15-11(7)17/h3-4,6,8-9,12,19-20H,2H2,1H3,(H,21,22)(H2,13,14,15)/t6-,8-,9-,12-/m1/s1
InChI KeyUBPVOHPZRZIJHM-WOUKDFQISA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentPentose phosphates
Alternative Parents
Substituents
  • Pentose phosphate
  • Pentose-5-phosphate
  • C-glycosyl compound
  • Glycosyl compound
  • Monosaccharide phosphate
  • Monoalkyl phosphate
  • Phosphoric acid ester
  • Organic phosphoric acid derivative
  • Alkyl phosphate
  • Tetrahydrofuran
  • Secondary alcohol
  • Hemiacetal
  • Polyol
  • Organoheterocyclic compound
  • Oxacycle
  • Primary alcohol
  • Alcohol
  • Hydrocarbon derivative
  • Organic oxide
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Ontology
StatusExpected but not Quantified
Origin
  • Endogenous
BiofunctionNot Available
ApplicationNot Available
Cellular locationsNot Available
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted PropertiesNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
HMDB IDHMDB0006880
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB024132
KNApSAcK IDNot Available
Chemspider ID389703
KEGG Compound IDC05993
BioCyc IDACETYL_AMP
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound440867
PDB IDNot Available
ChEBI ID37666
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available

Enzymes

Enzyme Details
1. ACSS2 protein
General function:
Not Available
Specific function:
Not Available
Gene Name:
ACSS2
Uniprot ID:
A7YWF1
Molecular weight:
78734.0
Reactions
Adenosine triphosphate + Acetic acid → Pyrophosphate + Acetyl adenylatedetails
Acetoacetyl-CoA + Adenosine monophosphate + Pyrophosphate → Acetyl adenylate + Acetaldehyde + Adenosine triphosphatedetails