CHEBI:186205 - PG(21:0/18:2(9Z,12Z))

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ChEBI Name PG(21:0/18:2(9Z,12Z))
ChEBI ID CHEBI:186205
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C45H85O10P
Net Charge 0
Average Mass 817.139
Monoisotopic Mass 816.58804
InChI InChI=1S/C45H85O10P/c1-3-5-7-9-11-13-15-17-19-20-21-23-24-26-28-30-32-34-36-44(48)52-40-43(41-54-56(50,51)53-39-42(47)38-46)55-45(49)37-35-33-31-29-27-25-22-18-16-14-12-10-8-6-4-2/h12,14,18,22,42-43,46-47H,3-11,13,15-17,19-21,23-41H2,1-2H3,(H,50,51)/b14-12-,22-18-/t42-,43+/m0/s1
InChIKey FMIYYYWLLDZBKK-DHSHJIJTSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCC)(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(21:0/18:2(9Z,12Z)) (CHEBI:186205) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] henicosanoate
Manual Xrefs Databases
113377380 ChemSpider
LMGP04010686 LIPID MAPS
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