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CHEBI:44775 - 1,2-DIACETOYL-SN-GLYCERO-3-PHOSPHOINOSITOL

Default Structure
ChEBI IDCHEBI:44775
ChEBI Name1,2-DIACETOYL-SN-GLYCERO-3-PHOSPHOINOSITOL
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC13H22O13P
Net Charge-1
Average Mass417.280
Monoisotopic Mass417.08035
SMILES[H]O[C@@]1([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[P@](=O)([O-])OC([H])([H])[C@@]([H])(OC(=O)C([H])([H])[H])C([H])([H])OC(=O)C([H])([H])[H])[C@@]([H])(O[H])[C@]1([H])O[H]
InChIInChI=1S/C13H23O13P/c1-5(14)23-3-7(25-6(2)15)4-24-27(21,22)26-13-11(19)9(17)8(16)10(18)12(13)20/h7-13,16-20H,3-4H2,1-2H3,(H,21,22)/p-1/t7-,8-,9-,10+,11+,12-,13+/m0/s1
InChIKeyWCCWBLFRGXINLH-RGDQZJQZSA-M
ChEBI Ontology
Outgoing Relation(s)
1,2-DIACETOYL-SN-GLYCERO-3-PHOSPHOINOSITOL (CHEBI:44775) is a unclassifieds (CHEBI:27189)
Synonyms  Source
1,2-DIACETOYL-SN-GLYCERO-3-PHOSPHOINOSITOLPDBeChem
(2S)-2,3-bis(acetyloxy)propyl (1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl phosphatePDBeChem
Manual XrefsDatabases
P2IPDBeChem