CHEBI:65221 - 1,2-dioctanoyl-sn-glycero-3-phospho-1D-myo-inositol(1−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1,2-dioctanoyl-sn-glycero-3-phospho-1D-myo-inositol(1−)
ChEBI ID CHEBI:65221
ChEBI ASCII Name 1,2-dioctanoyl-sn-glycero-3-phospho-1D-myo-inositol(1-)
Definition A 1-phosphatidyl-1D-myo-inositol(1−) that is the conjugate base of 1,2-dioctanoyl-sn-glycero-3-phospho-1D-myo-inositol, obtained by deprotonation of the phosphate OH group; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Alan Bridge
Supplier Information
Download Molfile XML SDF
Formula C25H46O13P
Net Charge -1
Average Mass 585.59870
Monoisotopic Mass 585.26815
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)/p-1/t17-,20-,21-,22+,23-,24-,25-/m1/s1
InChIKey UPUKKDCTWWVPCJ-OZRWLNDDSA-M
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
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via 1-phosphatidyl-1D-myo-inositol(1-) )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1,2-dioctanoyl-sn-glycero-3-phospho-1D-myo-inositol(1−) (CHEBI:65221) is a 1-phosphatidyl-1D-myo-inositol(1−) (CHEBI:57880)
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)
Incoming 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)
IUPAC Name
(2R)-2,3-bis(octanoyloxy)propyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate
Synonyms Sources
1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol) UniProt
1-(1,2-dioctanoyl-sn-glycero-3-phosphono)-1D-myo-inositol(1−) ChEBI
Last Modified
11 July 2014