EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:74584 - 1-icosanoyl-2-oleoyl-sn-glycero-3-phosphate(2−)

ChEBI IDCHEBI:74584
ChEBI Name1-icosanoyl-2-oleoyl-sn-glycero-3-phosphate(2−)
Stars
ASCII Name1-icosanoyl-2-oleoyl-sn-glycero-3-phosphate(2-)
DefinitionA 1,2-diacyl-sn-glycerol 3-phosphate(2−) obtained by deprotonation of the phosphate OH groups of 1-icosanoyl-2-oleoyl-sn-glycero-3-phosphate.
Last Modified6 November 2018
Submitterlaimo
DownloadsMolfile
FormulaC41H77O8P
Net Charge-2
Average Mass729.033
Monoisotopic Mass728.53670
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)([O-])[O-]
InChIInChI=1S/C41H79O8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(42)47-37-39(38-48-50(44,45)46)49-41(43)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h18,21,39H,3-17,19-20,22-38H2,1-2H3,(H2,44,45,46)/p-2/b21-18-/t39-/m1/s1
InChIKeyCHEVROLFHYXCIJ-PIIKPTFNSA-L
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
1-icosanoyl-2-oleoyl-sn-glycero-3-phosphate(2−) (CHEBI:74584) is a 1,2-diacyl-sn-glycerol 3-phosphate(2−) (CHEBI:58608)
1-icosanoyl-2-oleoyl-sn-glycero-3-phosphate(2−) (CHEBI:74584) is conjugate base of 1-icosanoyl-2-oleoyl-sn-glycero-3-phosphate (CHEBI:74942)
Incoming Relation(s)
1-icosanoyl-2-oleoyl-sn-glycero-3-phosphate (CHEBI:74942) is conjugate acid of 1-icosanoyl-2-oleoyl-sn-glycero-3-phosphate(2−) (CHEBI:74584)
IUPAC Name 
(2R)-3-(icosanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl phosphate
Synonyms  Source
1-eicosanoyl-2-(9Z)-octadecenoyl-sn-glycero-3-phosphate(2−)SUBMITTER
1-C20:0-2-C18:1(ω-9)-phosphatidateSUBMITTER
1-icosanoyl-2-(9Z)-octadecenoyl-sn-glycero-3-phosphate(2−)ChEBI
1-arachidoyl-2-oleoyl-sn-glycero-3-phosphate(2−)ChEBI
UniProt Name  Source
1-eicosanoyl-2-(9Z)-octadecenoyl-sn-glycero-3-phosphateUniProt