CHEBI:230950 - PG(18:1(12Z)-O(9S,10R)/i-20:0)

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ChEBI Name PG(18:1(12Z)-O(9S,10R)/i-20:0)
ChEBI ID CHEBI:230950
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C44H83O11P
Net Charge 0
Average Mass 819.111
Monoisotopic Mass 818.56730
InChI InChI=1S/C44H83O11P/c1-4-5-6-7-20-25-30-41-42(55-41)31-26-21-18-23-27-32-43(47)51-36-40(37-53-56(49,50)52-35-39(46)34-45)54-44(48)33-28-22-17-15-13-11-9-8-10-12-14-16-19-24-29-38(2)3/h20,25,38-42,45-46H,4-19,21-24,26-37H2,1-3H3,(H,49,50)/b25-20-/t39-,40+,41?,42?/m0/s1
InChIKey QRTUZMYAUFSUGZ-UTQGGDPKSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCC1OC1C/C=C\CCCCC)(OC[C@@H](O)CO)(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). 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(18:1(12Z)-O(9S,10R)/i-20:0) (CHEBI:230950) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[8-[3-[(Z)-oct-2-enyl]oxiran-2-yl]octanoyloxy]propan-2-yl] 18-methylnonadecanoate
Manual Xrefs Databases
117226289 ChemSpider
HMDB0271937 HMDB
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