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CHEBI:74245 - 1-octadecanoyl-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycero-3-phospho-D-myo-inositol(1−)

ChEBI IDCHEBI:74245
ChEBI Name1-octadecanoyl-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycero-3-phospho-D-myo-inositol(1−)
Stars
ASCII Name1-octadecanoyl-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycero-3-phospho-D-myo-inositol(1-)
Definitionis_a CHEBI:65055 is_a CHEBI:74241
Last Modified8 March 2017
Submitterabridge
DownloadsMolfile
FormulaC47H80O13P
Net Charge-1
Average Mass884.118
Monoisotopic Mass883.53420
SMILESCC/C=C\C/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/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/h5,7,11,13,17,19,22,24,28,30,39,42-47,50-54H,3-4,6,8-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,55,56)/p-1/b7-5-,13-11-,19-17-,24-22-,30-28-/t39-,42-,43-,44+,45-,46-,47-/m1/s1
InChIKeySUYDNPBYMBTSMM-LLZKZNPQSA-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-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycero-3-phospho-D-myo-inositol(1−) (CHEBI:74245) is a 1-octadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol(1−) (CHEBI:65055)
Synonyms  Source
1-stearoyl-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycero-3-phospho-D-myo-inositol(1−)SUBMITTER
PI(18:0/20:4(5Z,8Z,11Z,14Z,17Z))SUBMITTER
1-octadecanoyl-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycero-3-phospho-D-myo-inositolSUBMITTER
UniProt Name  Source
1-octadecanoyl-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycero-3-phospho-(1D-myo-inositol)UniProt