CHEBI:186267 - PGP(16:0/18:1(9Z))

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ChEBI Name PGP(16:0/18:1(9Z))
ChEBI ID CHEBI:186267
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C40H78O13P2
Net Charge 0
Average Mass 828.999
Monoisotopic Mass 828.49177
InChI InChI=1S/C40H78O13P2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(43)53-38(36-52-55(47,48)51-34-37(41)33-50-54(44,45)46)35-49-39(42)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37-38,41H,3-16,19-36H2,1-2H3,(H,47,48)(H2,44,45,46)/b18-17-/t37-,38+/m0/s1
InChIKey BKRKPWQBIFVASS-HGWHEPCSSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)(OC[C@@H](O)COP(O)(O)=O)(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 PGP(16:0/18:1(9Z)) (CHEBI:186267) is a phosphatidylglycerol phosphate (CHEBI:17264)
IUPAC Name
[(2R)-1-hexadecanoyloxy-3-[hydroxy-[(2S)-2-hydroxy-3-phosphonooxypropoxy]phosphoryl]oxypropan-2-yl] (Z)-octadec-9-enoate
Manual Xrefs Databases
4446635 ChemSpider
HMDB0013476 HMDB
LMGP05010001 LIPID MAPS
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