CHEBI:186278 - PA(18:3(9Z,12Z,15Z)/15:1(9Z))

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ChEBI Name PA(18:3(9Z,12Z,15Z)/15:1(9Z))
ChEBI ID CHEBI:186278
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C36H63O8P
Net Charge 0
Average Mass 654.866
Monoisotopic Mass 654.42606
InChI InChI=1S/C36H63O8P/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-35(37)42-32-34(33-43-45(39,40)41)44-36(38)31-29-27-25-23-20-16-14-12-10-8-6-4-2/h5,7,11-14,17-18,34H,3-4,6,8-10,15-16,19-33H2,1-2H3,(H2,39,40,41)/b7-5-,13-11-,14-12-,18-17-/t34-/m1/s1
InChIKey JJTAAOVLMNSQRB-INFSDCEPSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)(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(18:3(9Z,12Z,15Z)/15:1(9Z)) (CHEBI:186278) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
[(2R)-2-[(Z)-pentadec-9-enoyl]oxy-3-phosphonooxypropyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
Manual Xrefs Databases
113379073 ChemSpider
LMGP10010400 LIPID MAPS
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