EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:65243 - 1,2-dioctanoyl-sn-glycero-3-phospho-1D-myo-inositol

ChEBI IDCHEBI:65243
ChEBI Name1,2-dioctanoyl-sn-glycero-3-phospho-1D-myo-inositol
Stars
ASCII Name1,2-dioctanoyl-sn-glycero-3-phospho-1D-myo-inositol
DefinitionA 1-phosphatidyl-1D-myo-inositol in which the two phosphatidyl acyl groups are specified as octanoyl.
Last Modified27 August 2015
SubmitterSteve
DownloadsMolfile
FormulaC25H47O13P
Net Charge0
Average Mass586.612
Monoisotopic Mass586.27543
SMILESCCCCCCCC(=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
InChIInChI=1S/C25H47O13P/c1-3-5-7-9-11-13-18(26)35-15-17(37-19(27)14-12-10-8-6-4-2)16-36-39(33,34)38-25-23(31)21(29)20(28)22(30)24(25)32/h17,20-25,28-32H,3-16H2,1-2H3,(H,33,34)/t17-,20-,21-,22+,23-,24-,25-/m1/s1
InChIKeyUPUKKDCTWWVPCJ-OZRWLNDDSA-N
ChEBI Ontology
Outgoing Relation(s)
1,2-dioctanoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:65243) is a 1-phosphatidyl-1D-myo-inositol (CHEBI:16749)
1,2-dioctanoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:65243) is a octanoate ester (CHEBI:87657)
1,2-dioctanoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:65243) is conjugate acid of 1,2-dioctanoyl-sn-glycero-3-phospho-1D-myo-inositol(1−) (CHEBI:65221)
Incoming Relation(s)
1,2-dioctanoyl-sn-glycero-3-phospho-1D-myo-inositol(1−) (CHEBI:65221) is conjugate base of 1,2-dioctanoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:65243)
IUPAC Name 
(2R)-3-[(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]propane-1,2-diyl dioctanoate
Synonyms  Source
1,2-Dioctanoyl-sn-glycero-3-phosphoinositolChemIDplus
1-(1,2-dioctanoyl-sn-glycero-3-phosphono)-1D-myo-inositolChEBI
Registry NumbersSources
Reaxys:8530194Reaxys
CAS:105172-95-0ChemIDplus