CHEBI:185773 - PG(P-20:0/19:1(9Z))

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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-20:0/19:1(9Z))
ChEBI ID CHEBI:185773
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C45H87O9P
Net Charge 0
Average Mass 803.156
Monoisotopic Mass 802.60877
InChI InChI=1S/C45H87O9P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-51-41-44(42-53-55(49,50)52-40-43(47)39-46)54-45(48)37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h20,23,36,38,43-44,46-47H,3-19,21-22,24-35,37,39-42H2,1-2H3,(H,49,50)/b23-20-,38-36-/t43-,44+/m0/s1
InChIKey INMOCSKXUAFDOI-IDUMTGHFSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCCC)CO/C=C\CCCCCCCCCCCCCCCCCC)(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-20:0/19:1(9Z)) (CHEBI:185773) is a glycerophosphoglycerols (CHEBI:24360)
IUPAC Name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(Z)-icos-1-enoxy]propan-2-yl] (Z)-nonadec-9-enoate
Manual Xrefs Databases
113377794 ChemSpider
LMGP04030074 LIPID MAPS
View more database links