CHEBI:64966 - 3-dehydro-4-carboxyzymosterol

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ChEBI Name 3-dehydro-4-carboxyzymosterol
ChEBI ID CHEBI:64966
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C28H42O3
Net Charge 0
Average Mass 426.63130
Monoisotopic Mass 426.31340
InChI InChI=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
InChIKey HJQQRBBWPSGDGS-UEZNEYGDSA-N
SMILES [H][C@@]12CCC3=C(CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)CCC=C(C)C)[C@@]1(C)CCC(=O)C2C(O)=O
ChEBI Ontology
Outgoing 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 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 Sources
(5α)-3-oxocholesta-8,24-diene-4-carboxylic acid IUPAC
(5α)-4-carboxycholesta-8,24-dien-3-one ChEBI
4-carboxy-5α-cholesta-8(9),24-dien-3-one ChEBI
Last Modified
19 June 2012