CHEBI:178646 - PG(17:2(9Z,12Z)/17:0)

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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(17:2(9Z,12Z)/17:0)
ChEBI ID CHEBI:178646
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C40H75O10P
Net Charge 0
Average Mass 747.004
Monoisotopic Mass 746.50979
InChI InChI=1S/C40H75O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-39(43)47-35-38(36-49-51(45,46)48-34-37(42)33-41)50-40(44)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h9,11,15,17,37-38,41-42H,3-8,10,12-14,16,18-36H2,1-2H3,(H,45,46)/b11-9-,17-15-/t37-,38+/m0/s1
InChIKey JTULAXYBNAJYCW-RZTQZAHISA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCC)(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(17:2(9Z,12Z)/17:0) (CHEBI:178646) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxypropan-2-yl] heptadecanoate
Manual Xref Database
LMGP04010286 LIPID MAPS
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