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CHEBI:133803 - 7α-hydroxy-3-oxo-4-cholestenoate

ChEBI IDCHEBI:133803
ChEBI Name7α-hydroxy-3-oxo-4-cholestenoate
Stars
ASCII Name7alpha-hydroxy-3-oxo-4-cholestenoate
DefinitionA steroid acid anion that is the conjugate base of 7α-hydroxy-3-oxo-4-cholestenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3
Last Modified19 October 2016
SubmitterSteve
DownloadsMolfile
FormulaC27H41O4
Net Charge-1
Average Mass429.621
Monoisotopic Mass429.30103
SMILES[H][C@]12CC[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCCC(C)C(=O)[O-])[C@]1([H])[C@H](O)CC1=CC(=O)CC[C@@]12C
InChIInChI=1S/C27H42O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h14,16-17,20-24,29H,5-13,15H2,1-4H3,(H,30,31)/p-1/t16-,17?,20-,21+,22+,23-,24+,26+,27-/m1/s1
InChIKeySATGKQGFUDXGAX-MYWFJNCASA-M
ChEBI Ontology
Outgoing Relation(s)
7α-hydroxy-3-oxo-4-cholestenoate (CHEBI:133803) is a steroid acid anion (CHEBI:50160)
7α-hydroxy-3-oxo-4-cholestenoate (CHEBI:133803) is conjugate base of 7α-hydroxy-3-oxo-4-cholestenoic acid (CHEBI:83036)
Incoming Relation(s)
7α-hydroxy-3-oxo-4-cholestenoic acid (CHEBI:83036) is conjugate acid of 7α-hydroxy-3-oxo-4-cholestenoate (CHEBI:133803)
IUPAC Name 
7α-hydroxy-3-oxocholest-4-en-26-oate