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CHEBI:133606 - 1-octadecanoyl-2-arachidonoyl-sn-glycero-3-phospho-D-myo-inositol(1−)

ChEBI IDCHEBI:133606
ChEBI Name1-octadecanoyl-2-arachidonoyl-sn-glycero-3-phospho-D-myo-inositol(1−)
Stars
ASCII Name1-octadecanoyl-2-arachidonoyl-sn-glycero-3-phospho-D-myo-inositol(1-)
DefinitionA 1-octadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol(1−) in which the 2-acyl group is specified as (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl (arachidonoyl).
Secondary ChEBI IDCHEBI:74244
Last Modified6 March 2017
Submitterabridge, Steve
DownloadsMolfile
FormulaC47H82O13P
Net Charge-1
Average Mass886.134
Monoisotopic Mass885.54985
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C47H83O13P/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/h11,13,17,19,22,24,28,30,39,42-47,50-54H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,55,56)/p-1/b13-11-,19-17-,24-22-,30-28-/t39-,42-,43-,44+,45-,46-,47-/m1/s1
InChIKeyKRTOMQDUKGRFDJ-ZAHDIIMDSA-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-octadecanoyl-2-arachidonoyl-sn-glycero-3-phospho-D-myo-inositol(1−) (CHEBI:133606) is a 1-acyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol(1−) (CHEBI:75243)
1-octadecanoyl-2-arachidonoyl-sn-glycero-3-phospho-D-myo-inositol(1−) (CHEBI:133606) is a 1-octadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol(1−) (CHEBI:65055)
1-octadecanoyl-2-arachidonoyl-sn-glycero-3-phospho-D-myo-inositol(1−) (CHEBI:133606) is a phosphatidylinositol 38:4(1−) (CHEBI:74240)
1-octadecanoyl-2-arachidonoyl-sn-glycero-3-phospho-D-myo-inositol(1−) (CHEBI:133606) is conjugate base of 1-stearoyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:84153)
Incoming Relation(s)
1-stearoyl-2-(15-hydroperoxyarachidonoyl)-sn-glycero-3-phospho-1D-myo-inositol(1−) (CHEBI:146284) has functional parent 1-octadecanoyl-2-arachidonoyl-sn-glycero-3-phospho-D-myo-inositol(1−) (CHEBI:133606)
1-stearoyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:84153) is conjugate acid of 1-octadecanoyl-2-arachidonoyl-sn-glycero-3-phospho-D-myo-inositol(1−) (CHEBI:133606)
IUPAC Name 
(2R)-2-{[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy}-3-(octadecanoyloxy)propyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate
Synonyms  Source
1-octadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho-D-myo-inositol(1−)SUBMITTER
PI(18:0/20:4(5Z,8Z,11Z,14Z))SUBMITTER
1-stearoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho-D-myo-inositolSUBMITTER
1-stearoyl-2-arachidonoyl-GPI (18:0/20:4)ChEBI
GPI(18:0/20:4)ChEBI
1-octadecanoyl-2-(5Z,8Z,11Z,14Z-icosatetraenoyl)-sn-glycero-3-phospho-1D-myo-inositol(1−)ChEBI
UniProt Name  Source
1-octadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho-(1D-myo-inositol)UniProt