CHEBI:142919 - 4α-carboxy-stigmasta-7,24(241)-dien-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-stigmasta-7,24(241)-dien-3β-ol(1−)
ChEBI ID CHEBI:142919
ChEBI ASCII Name 4alpha-carboxy-stigmasta-7,24(24(1))-dien-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 ChemicalBook:CB4759009, eMolecules:495221
Download Molfile XML SDF
Formula C30H47O3
Net Charge -1
Average Mass 455.694
Monoisotopic Mass 455.35307
InChI InChI=1S/C30H48O3/c1-7-20(18(2)3)9-8-19(4)22-12-13-23-21-10-11-25-27(28(32)33)26(31)15-17-30(25,6)24(21)14-16-29(22,23)5/h7,10,18-19,22-27,31H,8-9,11-17H2,1-6H3,(H,32,33)/p-1/b20-7-/t19-,22-,23+,24+,25+,26+,27+,29-,30-/m1/s1
InChIKey PLFNGFVQAIAQFS-HHZIVNGQSA-M
SMILES C1[C@@]([C@@]2([C@@](C1)(C3=CC[C@@]4([H])[C@H](C([O-])=O)[C@@H](O)CC[C@]4(C)[C@]3(CC2)[H])[H])C)([C@H](C)CC/C(=C/C)/C(C)C)[H]
ChEBI Ontology
Outgoing 4α-carboxy-stigmasta-7,24(241)-dien-3β-ol(1−) (CHEBI:142919) is a steroid acid anion (CHEBI:50160)
4α-carboxy-stigmasta-7,24(241)-dien-3β-ol(1−) (CHEBI:142919) is conjugate base of 4alpha-Carboxy-stigmasta-7,24(24(1))-dien-3beta-ol (CHEBI:182951)
Incoming 4alpha-Carboxy-stigmasta-7,24(24(1))-dien-3beta-ol (CHEBI:182951) is conjugate acid of 4α-carboxy-stigmasta-7,24(241)-dien-3β-ol(1−) (CHEBI:142919)
Synonym Source
4α-carboxy-stigmasta-7,24(241)-dien-3β-ol UniProt
Manual Xref Database
CPD-12914 MetaCyc accession
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Citation Waiting for Citations Type Source
16835224 PubMed citation SUBMITTER
Last Modified
27 February 2024