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CHEBI:73212 - 1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho-D-myo-inositol

ChEBI IDCHEBI:73212
ChEBI Name1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho-D-myo-inositol
Stars
ASCII Name1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho-D-myo-inositol
DefinitionA 1-hexadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol in which the 2-acyl group is specified as 9Z,12Z-octadecadienoyl (linoleoyl).
Last Modified8 March 2017
SubmitterSteve
DownloadsMolfile
FormulaC43H79O13P
Net Charge0
Average Mass835.066
Monoisotopic Mass834.52583
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C43H79O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,35,38-43,46-50H,3-10,12,14-16,19-34H2,1-2H3,(H,51,52)/b13-11-,18-17-/t35-,38-,39-,40+,41-,42-,43-/m1/s1
InChIKeyBSNJSZUDOMPYIR-CUKLWHKZSA-N
ChEBI Ontology
Outgoing Relation(s)
1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho-D-myo-inositol (CHEBI:73212) is a 1-hexadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:64890)
1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho-D-myo-inositol (CHEBI:73212) is a phosphatidylinositol (16:0/18:2) (CHEBI:136493)
1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho-D-myo-inositol (CHEBI:73212) is conjugate acid of 1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho-D-myo-inositol(1−) (CHEBI:72838)
Incoming Relation(s)
1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho-D-myo-inositol(1−) (CHEBI:72838) is conjugate base of 1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho-D-myo-inositol (CHEBI:73212)
IUPAC Name 
(2R)-3-(hexadecanoyloxy)-1-[(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]propan-2-yl (9Z,12Z)-octadeca-9,12-dienoate
Synonyms  Source
PI(16:0/18:2(9Z,12Z))LIPID MAPS
1-hexadecanoyl-2-linoleoyl-sn-glycero-3-phospho-D-myo-inositolChEBI
Phosphatidylinositol(16:0/18:2ω6)HMDB
Phosphatidylinositol(16:0/18:2)HMDB
1-Palmitoyl-2-linoleoyl-sn-glycero-3-phosphoinositolHMDB
PIno(16:0/18:2)HMDB
Manual XrefsDatabases
LMGP06010959LIPID MAPS
HMDB0009784HMDB
CPD-8321MetaCyc
Registry NumbersSources
CAS:88542-99-8ChemIDplus