CHEBI:85468 - 1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4-phosphate)(3−)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4-phosphate)(3−) ChEBI ID CHEBI:85468 ChEBI ASCII Name 1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4-phosphate)(3-) Definition A 1-phosphatidyl-1D-myo-inositol 4-phosphate(3−) arising from deprotonation of all three free phosphate OH groups of 1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4-phosphate); major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Nevila Nouspikel Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C25H45O16P2 Net Charge -3 Average Mass 663.56440 Monoisotopic Mass 663.21993 InChI InChI=1S/C25H48O16P2/c1-3-5-7-9-11-13-18(26)37-15-17(39-19(27)14-12-10-8-6-4-2)16-38-43(35,36)41-25-22(30)20(28)24(21(29)23(25)31)40-42(32,33)34/h17,20-25,28-31H,3-16H2,1-2H3,(H,35,36)(H2,32,33,34)/p-3/t17-,20-,21+,22-,23-,24+,25+/m1/s1 InChIKey SNIQYSSXZJPPEL-LKTRINTESA-K SMILES CCCCCCCC(=O)OC[C@H](COP([O-])(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP([O-])([O-])=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 4-phosphate(3-) ) View more via ChEBI Ontology ChEBI Ontology Outgoing 1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4-phosphate)(3−) (CHEBI:85468) is a 1-phosphatidyl-1D-myo-inositol 4-phosphate(3−) (CHEBI:58178) 1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4-phosphate)(3−) (CHEBI:85468) is conjugate base of 1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4-phosphate) (CHEBI:85900) Incoming 1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4-phosphate) (CHEBI:85900) is conjugate acid of 1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4-phosphate)(3−) (CHEBI:85468) IUPAC Name (2R)-2,3-bis(octanoyloxy)propyl (1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonatooxy)cyclohexyl phosphate Synonym Source 1,2-dioctanoyl-sn-glycero-3-phospho-(1-D-myo-inositol-4-phosphate) UniProt Citation Type Source 17584180 PubMed citation SUBMITTER Last Modified 29 May 2015