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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1,2-dioctanoyl-sn-glycero-3-phospho-1D-myo-inositol
ChEBI ID CHEBI:65243
ChEBI ASCII Name 1,2-dioctanoyl-sn-glycero-3-phospho-1D-myo-inositol
Definition A 1-phosphatidyl-1D-myo-inositol in which the two phosphatidyl acyl groups are specified as octanoyl.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C25H47O13P
Net Charge 0
Average Mass 586.60660
Monoisotopic Mass 586.27543
InChI InChI=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
InChIKey UPUKKDCTWWVPCJ-OZRWLNDDSA-N
SMILES CCCCCCCC(=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
ChEBI Ontology
Outgoing 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 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 Sources
1,2-Dioctanoyl-sn-glycero-3-phosphoinositol ChemIDplus
1-(1,2-dioctanoyl-sn-glycero-3-phosphono)-1D-myo-inositol ChEBI
Registry Numbers Types Sources
105172-95-0 CAS Registry Number ChemIDplus
8530194 Reaxys Registry Number Reaxys
Last Modified
27 August 2015