CHEBI:143575 - 4α-carboxyzymosterol(1−)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 4α-carboxyzymosterol(1−)
ChEBI ID CHEBI:143575
ChEBI ASCII Name 4alpha-carboxyzymosterol(1-)
Definition A steroid acid anion that is the conjugate base of 4α-carboxyzymosterol, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C28H43O3
Net Charge -1
Average Mass 427.650
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-GSQAGGHASA-M
SMILES C12=C([C@]3([C@]([C@](CC3)([C@@H](CCC=C(C)C)C)[H])(C)CC1)[H])CC[C@@]4([C@@]2(CC[C@@H]([C@H]4C(=O)[O-])O)C)[H]
ChEBI Ontology
Outgoing 4α-carboxyzymosterol(1−) (CHEBI:143575) is a 4-carboxyzymosterol(1−) (CHEBI:64967)
Synonym Source
4α-carboxyzymosterol UniProt
Last Modified
27 February 2024