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CHEBI:44719 - 2,3,14,20,22-PENTAHYDROXYCHOLEST-7-EN-6-ONE

Default Structure
ChEBI IDCHEBI:44719
ChEBI Name2,3,14,20,22-PENTAHYDROXYCHOLEST-7-EN-6-ONE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC27H44O6
Net Charge0
Average Mass464.643
Monoisotopic Mass464.31379
SMILES[H]O[C@](C([H])([H])[H])([C@@]1([H])C([H])([H])C([H])([H])[C@@]2(O[H])C3=C([H])C(=O)[C@]4([H])C([H])([H])[C@@]([H])(O[H])[C@@]([H])(O[H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H])[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
InChIInChI=1S/C27H44O6/c1-15(2)6-7-23(31)26(5,32)22-9-11-27(33)17-12-19(28)18-13-20(29)21(30)14-24(18,3)16(17)8-10-25(22,27)4/h12,15-16,18,20-23,29-33H,6-11,13-14H2,1-5H3/t16-,18-,20+,21-,22-,23+,24+,25+,26+,27+/m0/s1
InChIKeyPJYYBCXMCWDUAZ-JJJZTNILSA-N
ChEBI Ontology
Outgoing Relation(s)
2,3,14,20,22-PENTAHYDROXYCHOLEST-7-EN-6-ONE (CHEBI:44719) is a unclassifieds (CHEBI:27189)
Synonyms  Source
2,3,14,20,22-PENTAHYDROXYCHOLEST-7-EN-6-ONEPDBeChem
(2alpha,3alpha,5alpha,22R)-2,3,14,20,22-pentahydroxycholest-7-en-6-onePDBeChem
Manual XrefsDatabases
P1APDBeChem