CHEBI:83239 - 1,2-dibutyryl-sn-glycero-3-phospho-(1ʼD-myo-inositol-5ʼ-phosphate)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1,2-dibutyryl-sn-glycero-3-phospho-(1ʼD-myo-inositol-5ʼ-phosphate)
ChEBI ID CHEBI:83239
ChEBI ASCII Name 1,2-dibutyryl-sn-glycero-3-phospho-(1'D-myo-inositol-5'-phosphate)
Definition A 1-phosphatidyl-1D-myo-inositol 5-phosphate in which both 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 C17H32O16P2
Net Charge 0
Average Mass 554.37390
Monoisotopic Mass 554.11656
InChI InChI=1S/C17H32O16P2/c1-3-5-10(18)29-7-9(31-11(19)6-4-2)8-30-35(27,28)33-17-14(22)12(20)13(21)16(15(17)23)32-34(24,25)26/h9,12-17,20-23H,3-8H2,1-2H3,(H,27,28)(H2,24,25,26)/t9-,12-,13-,14-,15-,16+,17-/m1/s1
InChIKey NKJZZWLREOAJGO-FBVWBLDGSA-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](OP(O)(O)=O)[C@H]1O)OC(=O)CCC
ChEBI Ontology
Outgoing 1,2-dibutyryl-sn-glycero-3-phospho-(1ʼD-myo-inositol-5ʼ-phosphate) (CHEBI:83239) has functional parent butyric acid (CHEBI:30772)
1,2-dibutyryl-sn-glycero-3-phospho-(1ʼD-myo-inositol-5ʼ-phosphate) (CHEBI:83239) is a 1-phosphatidyl-1D-myo-inositol 5-phosphate (CHEBI:16500)
1,2-dibutyryl-sn-glycero-3-phospho-(1ʼD-myo-inositol-5ʼ-phosphate) (CHEBI:83239) is a butyrate ester (CHEBI:50477)
1,2-dibutyryl-sn-glycero-3-phospho-(1ʼD-myo-inositol-5ʼ-phosphate) (CHEBI:83239) is conjugate acid of 1,2-dibutyryl-sn-glycero-3-phospho-(1ʼD-myo-inositol-5ʼ-phosphate)(3−) (CHEBI:82605)
Incoming 1,2-dibutyryl-sn-glycero-3-phospho-(1ʼD-myo-inositol-5ʼ-phosphate)(3−) (CHEBI:82605) is conjugate base of 1,2-dibutyryl-sn-glycero-3-phospho-(1ʼD-myo-inositol-5ʼ-phosphate) (CHEBI:83239)
IUPAC Name
(2R)-3-[(hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]propane-1,2-diyl dibutanoate
Synonyms Sources
1,2-dibutanoyl-sn-glycero-3-phospho-(1ʼD-myo-inositol-5ʼ-phosphate) ChEBI
PIP[5ʼ](4:0/4:0) ChEBI
Registry Number Type Source
25649102 Reaxys Registry Number Reaxys
Last Modified
26 August 2015