CHEBI:196716 - PA(16:0/17:1(9Z))

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ChEBI Name PA(16:0/17:1(9Z))
ChEBI ID CHEBI:196716
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/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36(38)44-34(33-43-45(39,40)41)32-42-35(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h15,17,34H,3-14,16,18-33H2,1-2H3,(H2,39,40,41)/b17-15-/t34-/m1/s1
InChIKey ZTSPZXCCNTZUNO-SGBZAWJXSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCC)COC(=O)CCCCCCCCCCCCCCC)(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(16:0/17:1(9Z)) (CHEBI:196716) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
[(2R)-1-hexadecanoyloxy-3-phosphonooxypropan-2-yl] (Z)-heptadec-9-enoate
Manual Xrefs Databases
113379293 ChemSpider
LMGP10010909 LIPID MAPS
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