CHEBI:185638 - PA(8:0/13:0)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name PA(8:0/13:0)
ChEBI ID CHEBI:185638
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H47O8P
Net Charge 0
Average Mass 494.606
Monoisotopic Mass 494.30086
InChI InChI=1S/C24H47O8P/c1-3-5-7-9-10-11-12-13-15-17-19-24(26)32-22(21-31-33(27,28)29)20-30-23(25)18-16-14-8-6-4-2/h22H,3-21H2,1-2H3,(H2,27,28,29)/t22-/m1/s1
InChIKey REQRISOJSILKKG-JOCHJYFZSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCC)(O)(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
Roles Classification
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
(via phosphatidic acid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing PA(8:0/13:0) (CHEBI:185638) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
[(2R)-1-octanoyloxy-3-phosphonooxypropan-2-yl] tridecanoate
Manual Xrefs Databases
74877222 ChemSpider
HMDB0115484 HMDB
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