CHEBI:142916 - 4α-carboxy-4β,14α-dimethyl-9β,19-cyclo-5α-ergost-24(241)-en-3β-ol(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-carboxy-4β,14α-dimethyl-9β,19-cyclo-5α-ergost-24(241)-en-3β-ol(1−)
ChEBI ID CHEBI:142916
ChEBI ASCII Name 4alpha-carboxy-4beta,14alpha-dimethyl-9beta,19-cyclo-5alpha-ergost-24(24(1))-en-3beta-ol(1-)
Definition Major species at pH 7.3
Stars This entity has been manually annotated by a third party.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C31H49O3
Net Charge -1
Average Mass 469.720
Monoisotopic Mass 469.36872
InChI InChI=1S/C31H50O3/c1-19(2)20(3)8-9-21(4)22-12-14-28(6)23-10-11-24-29(7,26(33)34)25(32)13-15-30(24)18-31(23,30)17-16-27(22,28)5/h19,21-25,32H,3,8-18H2,1-2,4-7H3,(H,33,34)/p-1/t21-,22-,23+,24+,25+,27-,28+,29+,30-,31+/m1/s1
InChIKey RLRGKMMFFVWPHT-NUYPAGBLSA-M
SMILES [C@]123[C@@]4([C@]([C@]([C@@H](O)CC4)(C)C(=O)[O-])(CC[C@]1([C@]5([C@@]([C@@]([C@@H](CCC(C(C)C)=C)C)(CC5)[H])(CC2)C)C)[H])[H])C3
ChEBI Ontology
Outgoing 4α-carboxy-4β,14α-dimethyl-9β,19-cyclo-5α-ergost-24(241)-en-3β-ol(1−) (CHEBI:142916) is a steroid acid anion (CHEBI:50160)
Synonym Source
4α-carboxy-4β,14α-dimethyl-9β,19-cyclo-5α-ergost-24(241)-en-3β-ol UniProt
Manual Xref Database
CPD-12867 MetaCyc accession
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Citation Waiting for Citations Type Source
10356290 PubMed citation SUBMITTER
Last Modified
27 February 2024