CHEBI:185772 - PG(P-18:0/18:1(9Z))

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name PG(P-18:0/18:1(9Z))
ChEBI ID CHEBI:185772
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000013827646
Download Molfile XML SDF
Formula C42H81O9P
Net Charge 0
Average Mass 761.075
Monoisotopic Mass 760.56182
InChI InChI=1S/C42H81O9P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-48-38-41(39-50-52(46,47)49-37-40(44)36-43)51-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,33,35,40-41,43-44H,3-17,19,21-32,34,36-39H2,1-2H3,(H,46,47)/b20-18-,35-33-/t40-,41+/m0/s1
InChIKey UMJCOGCIZCTHJM-SIVQSFSRSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)CO/C=C\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
ChEBI Ontology
Outgoing PG(P-18:0/18:1(9Z)) (CHEBI:185772) is a glycerophosphoglycerols (CHEBI:24360)
IUPAC Name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(Z)-octadec-1-enoxy]propan-2-yl] (Z)-octadec-9-enoate
Manual Xrefs Databases
113377810 ChemSpider
LMGP04030091 LIPID MAPS
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