CHEBI:187265 - PA(12:0/17:2(9Z,12Z))

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ChEBI Name PA(12:0/17:2(9Z,12Z))
ChEBI ID CHEBI:187265
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H59O8P
Net Charge 0
Average Mass 602.790
Monoisotopic Mass 602.39476
InChI InChI=1S/C32H59O8P/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-25-27-32(34)40-30(29-39-41(35,36)37)28-38-31(33)26-24-22-20-18-12-10-8-6-4-2/h9,11,14-15,30H,3-8,10,12-13,16-29H2,1-2H3,(H2,35,36,37)/b11-9-,15-14-/t30-/m1/s1
InChIKey YPZSTAAQNZFGRR-YRGPPRKWSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCC)COC(=O)CCCCCCCCCCC)(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(12:0/17:2(9Z,12Z)) (CHEBI:187265) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
[(2R)-1-dodecanoyloxy-3-phosphonooxypropan-2-yl] (9Z,12Z)-heptadeca-9,12-dienoate
Manual Xrefs Databases
113378841 ChemSpider
LMGP10010050 LIPID MAPS
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