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CHEBI:89245 - 1-[(13Z,16Z)-docosadienoyl]-2-linoleoyl-sn-glycero-3-phospho-1D-myo-inositol

ChEBI IDCHEBI:89245
ChEBI Name1-[(13Z,16Z)-docosadienoyl]-2-linoleoyl-sn-glycero-3-phospho-1D-myo-inositol
Stars
ASCII Name1-[(13Z,16Z)-docosadienoyl]-2-linoleoyl-sn-glycero-3-phospho-1D-myo-inositol
DefinitionA 1-phosphatidyl-1D-myo-inositol in which the phosphatidyl acyl groups at positions 1 and 2 are specified as (13Z,16Z)-docosadienoyl and linoleoyl respectively.
Last Modified24 March 2016
DownloadsMolfile
FormulaC49H87O13P
Net Charge0
Average Mass915.196
Monoisotopic Mass914.58843
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C49H87O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(50)59-39-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)61-43(51)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,23,41,44-49,52-56H,3-10,15-16,20-22,24-40H2,1-2H3,(H,57,58)/b13-11-,14-12-,19-17-,23-18-/t41-,44-,45-,46+,47-,48-,49-/m1/s1
InChIKeyYMVJQMHRDDWISR-RTEKGICGSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood (UBERON:0000178) PubMed (20671299)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
1-[(13Z,16Z)-docosadienoyl]-2-linoleoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:89245) has functional parent (13Z,16Z)-docosadienoic acid (CHEBI:75117)
1-[(13Z,16Z)-docosadienoyl]-2-linoleoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:89245) has functional parent linoleic acid (CHEBI:17351)
1-[(13Z,16Z)-docosadienoyl]-2-linoleoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:89245) has role human metabolite (CHEBI:77746)
1-[(13Z,16Z)-docosadienoyl]-2-linoleoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:89245) is a 1-phosphatidyl-1D-myo-inositol (CHEBI:16749)
IUPAC Name 
(2R)-3-[(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-2-{[(9Z,12Z)-octadeca-9,12-dienoyl]oxy}propyl (13Z,16Z)-docosa-13,16-dienoate
Synonyms  Source
Phosphatidylinositol(22:2n6/18:2n6)HMDB
PIno(22:2n6/18:2n6)HMDB
PI(22:2n6/18:2n6)HMDB
PI(22:2/18:2)HMDB
Phosphatidylinositol(22:2/18:2)HMDB
Phosphatidylinositol(22:2w6/18:2w6)HMDB
Manual XrefsDatabases
LMGP06010738LIPID MAPS
HMDB0009906HMDB
Citations