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CHEBI:63844 - 4-carboxyzymosterol

ChEBI IDCHEBI:63844
ChEBI Name4-carboxyzymosterol
Stars
DefinitionA steroid acid, the 4-carboxy derivative of zymosterol.
Last Modified5 December 2013
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC28H44O3
Net Charge0
Average Mass428.657
Monoisotopic Mass428.32905
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@@H](O)CC[C@]12C
InChIInChI=1S/C28H44O3/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/h7,18,20-21,23-25,29H,6,8-16H2,1-5H3,(H,30,31)/t18-,20-,21+,23+,24+,25?,27-,28-/m1/s1
InChIKeyJHIWIFRQJXLNEU-XSJUYMIFSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
4-carboxyzymosterol (CHEBI:63844) has functional parent zymosterol (CHEBI:18252)
4-carboxyzymosterol (CHEBI:63844) is a 3β-sterol (CHEBI:35348)
4-carboxyzymosterol (CHEBI:63844) is a monocarboxylic acid (CHEBI:25384)
4-carboxyzymosterol (CHEBI:63844) is a steroid acid (CHEBI:47891)
4-carboxyzymosterol (CHEBI:63844) is conjugate acid of 4-carboxyzymosterol(1−) (CHEBI:64967)
Incoming Relation(s)
4-carboxyzymosterol(1−) (CHEBI:64967) is conjugate base of 4-carboxyzymosterol (CHEBI:63844)
IUPAC Name 
3β-hydroxy-5α-cholesta-8,24-diene-4-carboxylic acid
Synonym  Source
4-carboxy-5α-cholesta-8(9),24-dien-3β-olChEBI