CHEBI:178499 - PA(14:1(9Z)/21:0)

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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)/21:0)
ChEBI ID CHEBI:178499
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C38H73O8P
Net Charge 0
Average Mass 688.968
Monoisotopic Mass 688.50431
InChI InChI=1S/C38H73O8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-33-38(40)46-36(35-45-47(41,42)43)34-44-37(39)32-30-28-26-24-22-14-12-10-8-6-4-2/h10,12,36H,3-9,11,13-35H2,1-2H3,(H2,41,42,43)/b12-10-/t36-/m1/s1
InChIKey RSTAFAYIAUOSPF-RENWGTOJSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC)(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(14:1(9Z)/21:0) (CHEBI:178499) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
[(2R)-1-phosphonooxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] henicosanoate
Manual Xref Database
LMGP10010131 LIPID MAPS
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