CHEBI:82606 - 1,2-dibutyryl-sn-glycero-3-phospho-(1ʼD-myo-inositol)(1−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1,2-dibutyryl-sn-glycero-3-phospho-(1ʼD-myo-inositol)(1−)
ChEBI ID CHEBI:82606
ChEBI ASCII Name 1,2-dibutyryl-sn-glycero-3-phospho-(1'D-myo-inositol)(1-)
Definition A 1-phosphatidyl-1D-myo-inositol(1−) that is the conjugate base of 1,2-dibutyryl-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 Nevila Nouspikel
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C17H30O13P
Net Charge -1
Average Mass 473.38660
Monoisotopic Mass 473.14295
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)/p-1/t9-,12-,13-,14+,15-,16-,17-/m1/s1
InChIKey SFURGELIJOUFHC-XXEWDYRMSA-M
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
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-dibutyryl-sn-glycero-3-phospho-(1ʼD-myo-inositol)(1−) (CHEBI:82606) is a 1-phosphatidyl-1D-myo-inositol(1−) (CHEBI:57880)
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)
Incoming 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)
IUPAC Name
(2R)-2,3-bis(butyryloxy)propyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate
Synonyms Sources
1,2-dibutanoyl-sn-glycero-3-phospho-(1ʼ-D-myo-inositol)(1−) SUBMITTER
1,2-dibutyryl-sn-glycero-3-phospho-(1D-myo-inositol) UniProt
Citation Waiting for Citations Type Source
15247229 PubMed citation SUBMITTER
Last Modified
10 March 2017