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CHEBI:78765 - 1-oleoyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol(1−)

ChEBI IDCHEBI:78765
ChEBI Name1-oleoyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol(1−)
Stars
ASCII Name1-oleoyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol(1-)
DefinitionA 1-acyl-2-arachidonoyl-sn-glycero-3-phospho-D-myo-inositol(1−) obtained by deprotonation of the phosphate OH group of 1-oleoyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol; major species at pH 7.3.
Last Modified10 March 2017
Submitternhn
DownloadsMolfile
FormulaC47H80O13P
Net Charge-1
Average Mass884.118
Monoisotopic Mass883.53420
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C47H81O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-22,24,28,30,39,42-47,50-54H,3-10,12,14-16,20,23,25-27,29,31-38H2,1-2H3,(H,55,56)/p-1/b13-11-,19-17-,21-18-,24-22-,30-28-/t39-,42-,43-,44+,45-,46-,47-/m1/s1
InChIKeySHIZRFSRTKXRQL-PJBFRWFCSA-M
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
1-oleoyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol(1−) (CHEBI:78765) is a 1-acyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol(1−) (CHEBI:75243)
1-oleoyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol(1−) (CHEBI:78765) is conjugate base of 1-oleoyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:82762)
Incoming Relation(s)
1-oleoyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:82762) is conjugate acid of 1-oleoyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol(1−) (CHEBI:78765)
IUPAC Name 
(2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate
Synonym  Source
1-(9Z)-octadecenoyl-2-(5Z,8Z,11Z,14Z)-eicosatetraenoyl-sn-glycero-3-phospho-1D-myo-inositol(1−)ChEBI
UniProt Name  Source
1-(9Z-octadecenoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho-1D-myo-inositolUniProt
Citations