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CHEBI:140452 - 1-[(1Z)-octadecenyl]-2-oleoyl-sn-glycero-3-phosphate(2−)

ChEBI IDCHEBI:140452
ChEBI Name1-[(1Z)-octadecenyl]-2-oleoyl-sn-glycero-3-phosphate(2−)
Stars
ASCII Name1-[(1Z)-octadecenyl]-2-oleoyl-sn-glycero-3-phosphate(2-)
DefinitionA 1-(Z)-alk-1-enyl-2-acyl-sn-glycero-3-phosphate(2−) obtained by deprotonation of the phosphate OH groups of 1-[(1Z)-octadecenyl]-2-oleoyl-sn-glycero-3-phosphate; major species at pH 7.3.
Last Modified13 April 2018
Submitterlaimo
DownloadsMolfile
FormulaC39H73O7P
Net Charge-2
Average Mass684.980
Monoisotopic Mass684.51049
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](CO/C=C\CCCCCCCCCCCCCCCC)COP(=O)([O-])[O-]
InChIInChI=1S/C39H75O7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-44-36-38(37-45-47(41,42)43)46-39(40)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,33,35,38H,3-17,19,21-32,34,36-37H2,1-2H3,(H2,41,42,43)/p-2/b20-18-,35-33-/t38-/m1/s1
InChIKeyZJGMUQGWZOJOAO-VDWFBKDDSA-L
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
1-[(1Z)-octadecenyl]-2-oleoyl-sn-glycero-3-phosphate(2−) (CHEBI:140452) is a 1-(Z)-alk-1-enyl-2-acyl-sn-glycero-3-phosphate(2−) (CHEBI:77284)
1-[(1Z)-octadecenyl]-2-oleoyl-sn-glycero-3-phosphate(2−) (CHEBI:140452) is conjugate base of 1-[(1Z)-octadecenyl]-2-oleoyl-sn-glycero-3-phosphate (CHEBI:140595)
Incoming Relation(s)
1-[(1Z)-octadecenyl]-2-oleoyl-sn-glycero-3-phosphate (CHEBI:140595) is conjugate acid of 1-[(1Z)-octadecenyl]-2-oleoyl-sn-glycero-3-phosphate(2−) (CHEBI:140452)
IUPAC Name 
(2R)-2-{[(9Z)-octadec-9-enoyl]oxy}-3-{[(1Z)-octadec-1-en-1-yl]oxy}propyl phosphate
Synonyms  Source
PA(P-18:0/18:1(9Z))(2−)SUBMITTER
PA(O-18:1(1Z)/18:1(9Z))(2−)SUBMITTER
1-O-(1Z-octadecenyl)-2-oleoyl-sn-glycero-3-phosphate(2−)ChEBI
UniProt Name  Source
1-O-(1Z-octadecenoyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphateUniProt
Citations