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CHEBI:89246 - 1-[(13Z,16Z)-docosadienoyl]-2-hexadecanoyl-sn-glycero-3-phospho-1D-myo-inositol

ChEBI IDCHEBI:89246
ChEBI Name1-[(13Z,16Z)-docosadienoyl]-2-hexadecanoyl-sn-glycero-3-phospho-1D-myo-inositol
Stars
ASCII Name1-[(13Z,16Z)-docosadienoyl]-2-hexadecanoyl-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 hexadecanoyl respectively.
Last Modified24 March 2016
DownloadsMolfile
FormulaC47H87O13P
Net Charge0
Average Mass891.174
Monoisotopic Mass890.58843
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)CCCCCCCCCCCCCCC
InChIInChI=1S/C47H87O13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(48)57-37-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h11,13,17-18,39,42-47,50-54H,3-10,12,14-16,19-38H2,1-2H3,(H,55,56)/b13-11-,18-17-/t39-,42-,43-,44+,45-,46-,47-/m1/s1
InChIKeyWCMFLJINGZIEAR-GBCMBGDPSA-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-hexadecanoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:89246) has functional parent (13Z,16Z)-docosadienoic acid (CHEBI:75117)
1-[(13Z,16Z)-docosadienoyl]-2-hexadecanoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:89246) has functional parent hexadecanoic acid (CHEBI:15756)
1-[(13Z,16Z)-docosadienoyl]-2-hexadecanoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:89246) has role human metabolite (CHEBI:77746)
1-[(13Z,16Z)-docosadienoyl]-2-hexadecanoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:89246) is a 1-phosphatidyl-1D-myo-inositol (CHEBI:16749)
IUPAC Name 
(2R)-2-(hexadecanoyloxy)-3-[(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]propyl (9Z,12Z)-docosa-13,16-dienoate
Synonyms  Source
PI(22:2n6/16:0)HMDB
Phosphatidylinositol(38:2)HMDB
PI(38:2)HMDB
Phosphatidylinositol(22:2/16:0)HMDB
PIno(38:2)HMDB
PI(22:2/16:0)HMDB
Manual XrefsDatabases
HMDB0009905HMDB
LMGP06010731LIPID MAPS
Citations