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CHEBI:64967 - 4-carboxyzymosterol(1−)

ChEBI IDCHEBI:64967
ChEBI Name4-carboxyzymosterol(1−)
Stars
ASCII Name4-carboxyzymosterol(1-)
DefinitionA steroid acid anion that is the conjugate base of 4-carboxyzymosterol, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified16 July 2021
SubmitterAlan Bridge
DownloadsMolfile
FormulaC28H43O3
Net Charge-1
Average Mass427.649
Monoisotopic Mass427.32177
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)/p-1/t18-,20-,21+,23+,24+,25?,27-,28-/m1/s1
InChIKeyJHIWIFRQJXLNEU-XSJUYMIFSA-M
ChEBI Ontology
Outgoing Relation(s)
4-carboxyzymosterol(1−) (CHEBI:64967) is a steroid acid anion (CHEBI:50160)
4-carboxyzymosterol(1−) (CHEBI:64967) is conjugate base of 4-carboxyzymosterol (CHEBI:63844)
Incoming Relation(s)
4α-carboxyzymosterol(1−) (CHEBI:143575) is a 4-carboxyzymosterol(1−) (CHEBI:64967)
4-carboxyzymosterol (CHEBI:63844) is conjugate acid of 4-carboxyzymosterol(1−) (CHEBI:64967)
IUPAC Name 
3β-hydroxy-5α-cholesta-8,24-diene-4-carboxylate
Synonyms  Source
(3β,5α)-3-hydroxycholesta-8,24-diene-4-carboxylateIUPAC
4-carboxylatozymosterolChEBI
UniProt Name  Source
4-carboxyzymosterolUniProt