CHEBI:179130 - PG(18:2(9Z,12Z)/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 PG(18:2(9Z,12Z)/14:0)
ChEBI ID CHEBI:179130
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000008218444
Download Molfile XML SDF
Formula C38H71O10P
Net Charge 0
Average Mass 718.950
Monoisotopic Mass 718.47849
InChI InChI=1S/C38H71O10P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-37(41)45-33-36(34-47-49(43,44)46-32-35(40)31-39)48-38(42)30-28-26-24-22-19-14-12-10-8-6-4-2/h11,13,16-17,35-36,39-40H,3-10,12,14-15,18-34H2,1-2H3,(H,43,44)/b13-11-,17-16-/t35-,36+/m0/s1
InChIKey PEIQSUHWTOIFEN-OWCLLMORSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(OC[C@@H](O)CO)(O)=O
Roles Classification
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
(via phosphatidylglycerol )
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via phosphatidylglycerol )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing PG(18:2(9Z,12Z)/14:0) (CHEBI:179130) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-tetradecanoyloxypropyl] (9Z,12Z)-octadeca-9,12-dienoate
Manual Xref Database
LMGP04010342 LIPID MAPS
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