CHEBI:187478 - PG(17:1(9Z)/17:2(9Z,12Z))

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ChEBI Name PG(17:1(9Z)/17:2(9Z,12Z))
ChEBI ID CHEBI:187478
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ChemicalBook:CB6419347, ChemicalBook:CB9419348, eMolecules:485752, ZINC000004096845
Download Molfile XML SDF
Formula C40H73O10P
Net Charge 0
Average Mass 744.988
Monoisotopic Mass 744.49414
InChI InChI=1S/C40H73O10P/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/h10,12,15-18,37-38,41-42H,3-9,11,13-14,19-36H2,1-2H3,(H,45,46)/b12-10-,17-15-,18-16-/t37-,38+/m0/s1
InChIKey JRYQGDXDSGZUJK-SWQTZBCUSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCC)COC(=O)CCCCCCC/C=C\CCCCCCC)(OC[C@@H](O)CO)(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
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(17:1(9Z)/17:2(9Z,12Z)) (CHEBI:187478) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxypropyl] (Z)-heptadec-9-enoate
Manual Xrefs Databases
113376997 ChemSpider
LMGP04010257 LIPID MAPS
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