CHEBI:145943 - 4α-carboxy-5α-cholest-7-en-3β-ol(1−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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-5α-cholest-7-en-3β-ol(1−)
ChEBI ID CHEBI:145943
ChEBI ASCII Name 4alpha-carboxy-5alpha-cholest-7-en-3beta-ol(1-)
Stars This entity has been manually annotated by a third party.
Submitter Lucila Aimo
Supplier Information
Download Molfile XML SDF
Formula C28H45O3
Net Charge -1
Average Mass 429.666
Monoisotopic Mass 429.33742
InChI InChI=1S/C28H46O3/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/h9,17-18,20-25,29H,6-8,10-16H2,1-5H3,(H,30,31)/p-1/t18-,20-,21+,22?,23+,24+,25+,27-,28-/m1/s1
InChIKey FXBZYWGMTFSORP-DWAJTJKJSA-M
SMILES C1=C2[C@@]3(CC[C@@]([C@]3(CCC2[C@]4(CC[C@H](O)[C@H]([C@@]4(C1)[H])C(=O)[O-])C)C)([C@@H](CCCC(C)C)C)[H])[H]
ChEBI Ontology
Outgoing 4α-carboxy-5α-cholest-7-en-3β-ol(1−) (CHEBI:145943) is a steroid acid anion (CHEBI:50160)
4α-carboxy-5α-cholest-7-en-3β-ol(1−) (CHEBI:145943) is tautomer of 3β-hydroxy-5α-cholest-8-ene-4α-carboxylate (CHEBI:87055)
Incoming 3β-hydroxy-5α-cholest-8-ene-4α-carboxylate (CHEBI:87055) is tautomer of 4α-carboxy-5α-cholest-7-en-3β-ol(1−) (CHEBI:145943)
Synonyms Sources
3β-hydroxy-5α-cholest-7-ene-4α-carboxylate SUBMITTER
4α-carboxy-5α-cholest-7-en-3β-ol UniProt
Citation Waiting for Citations Type Source
4398294 PubMed citation SUBMITTER