CHEBI:64967 - 4-carboxyzymosterol(1−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-carboxyzymosterol(1−)
ChEBI ID CHEBI:64967
ChEBI ASCII Name 4-carboxyzymosterol(1-)
Definition A steroid acid anion that is the conjugate base of 4-carboxyzymosterol, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Alan Bridge
Supplier Information
Download Molfile XML SDF
Formula C28H43O3
Net Charge -1
Average Mass 427.63920
Monoisotopic Mass 427.32177
InChI InChI=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
InChIKey JHIWIFRQJXLNEU-XSJUYMIFSA-M
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)CC[C@H](O)C2C([O-])=O
ChEBI Ontology
Outgoing 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 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 Sources
(3β,5α)-3-hydroxycholesta-8,24-diene-4-carboxylate IUPAC
4-carboxylatozymosterol ChEBI
4-carboxyzymosterol UniProt
Last Modified
16 July 2021