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Showing metabocard for 3a,7a-Dihydroxy-5b-cholest-24-enoyl-CoA (BMDB0006895)
Record Information | ||||||||||||||||
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Version | 1.0 | |||||||||||||||
Creation Date | 2016-09-30 23:27:21 UTC | |||||||||||||||
Update Date | 2020-05-21 16:28:49 UTC | |||||||||||||||
BMDB ID | BMDB0006895 | |||||||||||||||
Secondary Accession Numbers |
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Metabolite Identification | ||||||||||||||||
Common Name | 3a,7a-Dihydroxy-5b-cholest-24-enoyl-CoA | |||||||||||||||
Description | 3a,7a-Dihydroxy-5b-cholest-24-enoyl-CoA belongs to the class of organic compounds known as phosphatidylcholines. These are glycerophosphocholines in which the two free -OH are attached to one fatty acid each through an ester linkage. 3a,7a-Dihydroxy-5b-cholest-24-enoyl-CoA is a strong basic compound (based on its pKa). | |||||||||||||||
Structure | ||||||||||||||||
Synonyms |
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Chemical Formula | C48H78N7O19P3S | |||||||||||||||
Average Molecular Weight | 1182.155 | |||||||||||||||
Monoisotopic Molecular Weight | 1181.428603575 | |||||||||||||||
IUPAC Name | Not Available | |||||||||||||||
Traditional Name | Not Available | |||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||
SMILES | Not Available | |||||||||||||||
InChI Identifier | InChI=1S/C48H78N7O19P3S/c1-26(30-10-11-31-36-32(13-16-48(30,31)6)47(5)15-12-29(56)20-28(47)21-33(36)57)8-7-9-27(2)45(62)78-19-18-50-35(58)14-17-51-43(61)40(60)46(3,4)23-71-77(68,69)74-76(66,67)70-22-34-39(73-75(63,64)65)38(59)44(72-34)55-25-54-37-41(49)52-24-53-42(37)55/h9,24-26,28-34,36,38-40,44,56-57,59-60H,7-8,10-23H2,1-6H3,(H,50,58)(H,51,61)(H,66,67)(H,68,69)(H2,49,52,53)(H2,63,64,65)/b27-9+/t26?,28-,29+,30?,31?,32?,33+,34+,36?,38+,39+,40?,44+,47-,48+/m0/s1 | |||||||||||||||
InChI Key | SEBZZAWTQNNGPK-YOKOLYSVSA-N | |||||||||||||||
Chemical Taxonomy | ||||||||||||||||
Description | belongs to the class of organic compounds known as phosphatidylcholines. These are glycerophosphocholines in which the two free -OH are attached to one fatty acid each through an ester linkage. | |||||||||||||||
Kingdom | Organic compounds | |||||||||||||||
Super Class | Lipids and lipid-like molecules | |||||||||||||||
Class | Glycerophospholipids | |||||||||||||||
Sub Class | Glycerophosphocholines | |||||||||||||||
Direct Parent | Phosphatidylcholines | |||||||||||||||
Alternative Parents | ||||||||||||||||
Substituents |
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Molecular Framework | Aliphatic acyclic compounds | |||||||||||||||
External Descriptors |
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Ontology | ||||||||||||||||
Status | Expected but not Quantified | |||||||||||||||
Origin |
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Biofunction | Not Available | |||||||||||||||
Application | Not Available | |||||||||||||||
Cellular locations |
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Physical Properties | ||||||||||||||||
State | Solid | |||||||||||||||
Experimental Properties |
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Predicted Properties | Not Available | |||||||||||||||
Spectra | ||||||||||||||||
Spectra |
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Biological Properties | ||||||||||||||||
Cellular Locations |
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Biospecimen Locations | Not Available | |||||||||||||||
Pathways | ||||||||||||||||
Normal Concentrations | ||||||||||||||||
Not Available | ||||||||||||||||
Abnormal Concentrations | ||||||||||||||||
Not Available | ||||||||||||||||
External Links | ||||||||||||||||
HMDB ID | HMDB0006895 | |||||||||||||||
DrugBank ID | Not Available | |||||||||||||||
Phenol Explorer Compound ID | Not Available | |||||||||||||||
FooDB ID | FDB024142 | |||||||||||||||
KNApSAcK ID | Not Available | |||||||||||||||
Chemspider ID | 4444354 | |||||||||||||||
KEGG Compound ID | C05447 | |||||||||||||||
BioCyc ID | Not Available | |||||||||||||||
BiGG ID | 45830 | |||||||||||||||
Wikipedia Link | Not Available | |||||||||||||||
METLIN ID | Not Available | |||||||||||||||
PubChem Compound | 5280796 | |||||||||||||||
PDB ID | Not Available | |||||||||||||||
ChEBI ID | 27393 | |||||||||||||||
References | ||||||||||||||||
Synthesis Reference | Not Available | |||||||||||||||
Material Safety Data Sheet (MSDS) | Not Available | |||||||||||||||
General References | Not Available |