CHEBI:186464 - PA(13:0/18:2(9Z,12Z))

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ChEBI Name PA(13:0/18:2(9Z,12Z))
ChEBI ID CHEBI:186464
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C34H63O8P
Net Charge 0
Average Mass 630.844
Monoisotopic Mass 630.42606
InChI InChI=1S/C34H63O8P/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-34(36)42-32(31-41-43(37,38)39)30-40-33(35)28-26-24-22-20-14-12-10-8-6-4-2/h11,13,16-17,32H,3-10,12,14-15,18-31H2,1-2H3,(H2,37,38,39)/b13-11-,17-16-/t32-/m1/s1
InChIKey OFMOJPBZEDGABH-HZQBHUIPSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCC)(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(13:0/18:2(9Z,12Z)) (CHEBI:186464) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
[(2R)-1-phosphonooxy-3-tridecanoyloxypropan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate
Manual Xrefs Databases
113378867 ChemSpider
LMGP10010076 LIPID MAPS
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