CHEBI:185934 - PG(P-18:0/16:0)

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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-18:0/16:0)
ChEBI ID CHEBI:185934
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C40H79O9P
Net Charge 0
Average Mass 735.037
Monoisotopic Mass 734.54617
InChI InChI=1S/C40H79O9P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-46-36-39(37-48-50(44,45)47-35-38(42)34-41)49-40(43)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h31,33,38-39,41-42H,3-30,32,34-37H2,1-2H3,(H,44,45)/b33-31-/t38-,39+/m0/s1
InChIKey KZKFOQJVOABMOH-UDZAHPOESA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)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-18:0/16:0) (CHEBI:185934) is a glycerophosphoglycerols (CHEBI:24360)
IUPAC Name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(Z)-octadec-1-enoxy]propan-2-yl] hexadecanoate
Manual Xrefs Databases
113377755 ChemSpider
LMGP04030034 LIPID MAPS
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