CHEBI:187558 - PG(14:1(9Z)/18:3(9Z,12Z,15Z))

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ChEBI Name PG(14:1(9Z)/18:3(9Z,12Z,15Z))
ChEBI ID CHEBI:187558
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C38H67O10P
Net Charge 0
Average Mass 714.918
Monoisotopic Mass 714.44719
InChI InChI=1S/C38H67O10P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-38(42)48-36(34-47-49(43,44)46-32-35(40)31-39)33-45-37(41)29-27-25-23-21-19-14-12-10-8-6-4-2/h5,7,10-13,16-17,35-36,39-40H,3-4,6,8-9,14-15,18-34H2,1-2H3,(H,43,44)/b7-5-,12-10-,13-11-,17-16-/t35-,36+/m0/s1
InChIKey KXHFMVUHXOUNHN-VZDYQWRFSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\CCCC)(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(14:1(9Z)/18:3(9Z,12Z,15Z)) (CHEBI:187558) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
Manual Xrefs Databases
113376875 ChemSpider
LMGP04010123 LIPID MAPS
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