CHEBI:178746 - PA(22:1(11Z)/14:0)

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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(22:1(11Z)/14:0)
ChEBI ID CHEBI:178746
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C39H75O8P
Net Charge 0
Average Mass 702.995
Monoisotopic Mass 702.51996
InChI InChI=1S/C39H75O8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-23-14-12-10-8-6-4-2/h18-19,37H,3-17,20-36H2,1-2H3,(H2,42,43,44)/b19-18-/t37-/m1/s1
InChIKey MIPHZEWYUUSZAP-OUJJLNDXSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCCCC)(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(22:1(11Z)/14:0) (CHEBI:178746) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
[(2R)-3-phosphonooxy-2-tetradecanoyloxypropyl] (Z)-docos-11-enoate
Manual Xref Database
LMGP10010726 LIPID MAPS
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