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CHEBI:64966 - 3-dehydro-4-carboxyzymosterol

ChEBI IDCHEBI:64966
ChEBI Name3-dehydro-4-carboxyzymosterol
Stars
DefinitionA 3-oxo steroid, the structure of which is that of zymosterol, carboxy-substituted at C-4, and in which the 3-hydroxy function has been oxidised to an oxo group.
Last Modified19 June 2012
SubmitterSteve
DownloadsMolfile
FormulaC28H42O3
Net Charge0
Average Mass426.641
Monoisotopic Mass426.31340
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCC=C(C)C)[C@@]1(C)CCC1=C2CC[C@@]2([H])C(C(=O)O)C(=O)CC[C@]12C
InChIInChI=1S/C28H42O3/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(26(30)31)24(29)14-16-28(23,5)22(19)13-15-27(20,21)4/h7,18,20-21,23,25H,6,8-16H2,1-5H3,(H,30,31)/t18-,20-,21+,23+,25?,27-,28-/m1/s1
InChIKeyHJQQRBBWPSGDGS-UEZNEYGDSA-N
ChEBI Ontology
Outgoing Relation(s)
3-dehydro-4-carboxyzymosterol (CHEBI:64966) has functional parent zymosterol (CHEBI:18252)
3-dehydro-4-carboxyzymosterol (CHEBI:64966) is a 3-oxo steroid (CHEBI:47788)
3-dehydro-4-carboxyzymosterol (CHEBI:64966) is conjugate acid of 3-dehydro-4-carboxyzymosterol(1−) (CHEBI:64934)
Incoming Relation(s)
3-dehydro-4-carboxyzymosterol(1−) (CHEBI:64934) is conjugate base of 3-dehydro-4-carboxyzymosterol (CHEBI:64966)
IUPAC Name 
3-oxo-5α-cholesta-8,24-diene-4-carboxylic acid
Synonyms  Source
(5α)-4-carboxycholesta-8,24-dien-3-oneChEBI
4-carboxy-5α-cholesta-8(9),24-dien-3-oneChEBI
(5α)-3-oxocholesta-8,24-diene-4-carboxylic acidIUPAC