CHEBI:186030 - PG(17:0/22:2(13Z,16Z))

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ChEBI Name PG(17:0/22:2(13Z,16Z))
ChEBI ID CHEBI:186030
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/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-45(49)55-43(41-54-56(50,51)53-39-42(47)38-46)40-52-44(48)36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h11,13,17,19,42-43,46-47H,3-10,12,14-16,18,20-41H2,1-2H3,(H,50,51)/b13-11-,19-17-/t42-,43+/m0/s1
InChIKey DSDPANGBFNZBFP-QKVMJMSWSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCC)(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(17:0/22:2(13Z,16Z)) (CHEBI:186030) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-heptadecanoyloxypropan-2-yl] (13Z,16Z)-docosa-13,16-dienoate
Manual Xrefs Databases
113376986 ChemSpider
LMGP04010246 LIPID MAPS
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