CHEBI:176996 - PG(18:0/22:1(11Z))

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ChEBI Name PG(18:0/22:1(11Z))
ChEBI ID CHEBI:176996
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C46H89O10P
Net Charge 0
Average Mass 833.182
Monoisotopic Mass 832.61934
InChI InChI=1S/C46H89O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(50)56-44(42-55-57(51,52)54-40-43(48)39-47)41-53-45(49)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h20-21,43-44,47-48H,3-19,22-42H2,1-2H3,(H,51,52)/b21-20-/t43-,44+/m0/s1
InChIKey MUJNFKGMSFLZCU-KUMHYYHTSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood serum (BTO:0000133).
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(18:0/22:1(11Z)) (CHEBI:176996) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-octadecanoyloxypropan-2-yl] (Z)-docos-11-enoate
Manual Xref Database
LMGP04010320 LIPID MAPS
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