CHEBI:186049 - PA(14:1(9Z)/19:0)

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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(14:1(9Z)/19:0)
ChEBI ID CHEBI:186049
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C36H69O8P
Net Charge 0
Average Mass 660.914
Monoisotopic Mass 660.47301
InChI InChI=1S/C36H69O8P/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-31-36(38)44-34(33-43-45(39,40)41)32-42-35(37)30-28-26-24-22-20-14-12-10-8-6-4-2/h10,12,34H,3-9,11,13-33H2,1-2H3,(H2,39,40,41)/b12-10-/t34-/m1/s1
InChIKey QNWLKTRSTRZACR-PEDHGXIFSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC)(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(14:1(9Z)/19:0) (CHEBI:186049) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
[(2R)-1-phosphonooxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] nonadecanoate
Manual Xrefs Databases
113378897 ChemSpider
LMGP10010123 LIPID MAPS
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