CHEBI:196713 - PA(17:0/16:1(9Z))

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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(17:0/16:1(9Z))
ChEBI ID CHEBI:196713
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C36H69O8P
Net Charge 0
Average Mass 660.914
Monoisotopic Mass 660.47301
InChI InChI=1S/C36H69O8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-35(37)42-32-34(33-43-45(39,40)41)44-36(38)31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h14,16,34H,3-13,15,17-33H2,1-2H3,(H2,39,40,41)/b16-14-/t34-/m1/s1
InChIKey CSJIEBSKNZPSGE-CVBYVTFXSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCCCCCCCCC)(O)(O)=O
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(17:0/16:1(9Z)) (CHEBI:196713) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
[(2R)-2-[(Z)-hexadec-9-enoyl]oxy-3-phosphonooxypropyl] heptadecanoate
Manual Xrefs Databases
113378955 ChemSpider
LMGP10010228 LIPID MAPS
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