CHEBI:179006 - PA(20:0/17:1(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(20:0/17:1(9Z))
ChEBI ID CHEBI:179006
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C40H77O8P
Net Charge 0
Average Mass 717.022
Monoisotopic Mass 716.53561
InChI InChI=1S/C40H77O8P/c1-3-5-7-9-11-13-15-17-19-20-21-23-24-26-28-30-32-34-39(41)46-36-38(37-47-49(43,44)45)48-40(42)35-33-31-29-27-25-22-18-16-14-12-10-8-6-4-2/h16,18,38H,3-15,17,19-37H2,1-2H3,(H2,43,44,45)/b18-16-/t38-/m1/s1
InChIKey VCFKOTOYYWWGQN-WYRBGLKBSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC)(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(20:0/17:1(9Z)) (CHEBI:179006) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
[(2R)-2-[(Z)-heptadec-9-enoyl]oxy-3-phosphonooxypropyl] icosanoate
Manual Xref Database
LMGP10010514 LIPID MAPS
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