CHEBI:83240 - 1,2-dibutyryl-sn-glycero-3-phospho-(1ʼD-myo-inositol)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1,2-dibutyryl-sn-glycero-3-phospho-(1ʼD-myo-inositol)
ChEBI ID CHEBI:83240
ChEBI ASCII Name 1,2-dibutyryl-sn-glycero-3-phospho-(1'D-myo-inositol)
Definition A 1-phosphatidyl-1D-myo-inositol in which the two phosphatidyl acyl groups are specified as butanoyl.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C17H31O13P
Net Charge 0
Average Mass 474.39400
Monoisotopic Mass 474.15023
InChI InChI=1S/C17H31O13P/c1-3-5-10(18)27-7-9(29-11(19)6-4-2)8-28-31(25,26)30-17-15(23)13(21)12(20)14(22)16(17)24/h9,12-17,20-24H,3-8H2,1-2H3,(H,25,26)/t9-,12-,13-,14+,15-,16-,17-/m1/s1
InChIKey SFURGELIJOUFHC-XXEWDYRMSA-N
SMILES CCCC(=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)CCC
ChEBI Ontology
Outgoing 1,2-dibutyryl-sn-glycero-3-phospho-(1ʼD-myo-inositol) (CHEBI:83240) has functional parent butyric acid (CHEBI:30772)
1,2-dibutyryl-sn-glycero-3-phospho-(1ʼD-myo-inositol) (CHEBI:83240) is a 1-phosphatidyl-1D-myo-inositol (CHEBI:16749)
1,2-dibutyryl-sn-glycero-3-phospho-(1ʼD-myo-inositol) (CHEBI:83240) is a butyrate ester (CHEBI:50477)
1,2-dibutyryl-sn-glycero-3-phospho-(1ʼD-myo-inositol) (CHEBI:83240) is conjugate acid of 1,2-dibutyryl-sn-glycero-3-phospho-(1ʼD-myo-inositol)(1−) (CHEBI:82606)
Incoming 1,2-dibutyryl-sn-glycero-3-phospho-(1ʼD-myo-inositol)(1−) (CHEBI:82606) is conjugate base of 1,2-dibutyryl-sn-glycero-3-phospho-(1ʼD-myo-inositol) (CHEBI:83240)
IUPAC Name
(2R)-3-[(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]propane-1,2-diyl dibutanoate
Synonyms Sources
1,2-dibutanoyl-sn-glycero-3-phospho-(1ʼD-myo-inositol) ChEBI
1,2-Dibutyryl-sn-glycero-3-phosphoinositol ChemIDplus
di-C4-PI ChemIDplus
PI(4:0/4:0) ChEBI
Registry Numbers Types Sources
10618315 Reaxys Registry Number Reaxys
148504-92-1 CAS Registry Number ChemIDplus
Last Modified
26 August 2015