CHEBI:81014 - 3β-hydroxycholest-5-en-26-oic acid

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 3β-hydroxycholest-5-en-26-oic acid ChEBI ID CHEBI:81014 ChEBI ASCII Name 3beta-hydroxycholest-5-en-26-oic acid Definition A steroid acid resulting from the oxidation of one of the terminal methyl groups of cholesterol to the corresponding aldehyde. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C27H44O3 Net Charge 0 Average Mass 416.63650 Monoisotopic Mass 416.32905 InChI InChI=1S/C27H44O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h8,17-18,20-24,28H,5-7,9-16H2,1-4H3,(H,29,30)/t17-,18?,20+,21+,22-,23+,24+,26+,27-/m1/s1 InChIKey WVXOMPRLWLXFAP-AMQKJUDNSA-N SMILES C[C@H](CCCC(C)C(O)=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C Metabolite of Species Details Mycobacterium tuberculosis (NCBI:txid1773) See: PubMed Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Biological Role(s): bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. View more via ChEBI Ontology ChEBI Ontology Outgoing 3β-hydroxycholest-5-en-26-oic acid (CHEBI:81014) has functional parent cholesterol (CHEBI:16113) 3β-hydroxycholest-5-en-26-oic acid (CHEBI:81014) has role bacterial metabolite (CHEBI:76969) 3β-hydroxycholest-5-en-26-oic acid (CHEBI:81014) is a 3β-hydroxy-Δ5-steroid (CHEBI:1722) 3β-hydroxycholest-5-en-26-oic acid (CHEBI:81014) is a 3β-sterol (CHEBI:35348) 3β-hydroxycholest-5-en-26-oic acid (CHEBI:81014) is a cholestanoid (CHEBI:50401) 3β-hydroxycholest-5-en-26-oic acid (CHEBI:81014) is a monocarboxylic acid (CHEBI:25384) 3β-hydroxycholest-5-en-26-oic acid (CHEBI:81014) is a steroid acid (CHEBI:47891) 3β-hydroxycholest-5-en-26-oic acid (CHEBI:81014) is conjugate acid of 3β-hydroxycholest-5-en-26-oate (CHEBI:84146) Incoming (25R)-3β-hydroxycholest-5-en-26-oic acid (CHEBI:86378) is a 3β-hydroxycholest-5-en-26-oic acid (CHEBI:81014) (25S)-cholestenoic acid (CHEBI:71616) is a 3β-hydroxycholest-5-en-26-oic acid (CHEBI:81014) 3β-hydroxycholest-5-en-26-oate (CHEBI:84146) is conjugate base of 3β-hydroxycholest-5-en-26-oic acid (CHEBI:81014) IUPAC Name (3β)-hydroxycholest-5-en-26-oic acid Synonyms Sources 3-HCOA ChemIDplus 3-Hydroxy-5-cholesten-26-oic acid ChemIDplus 3-Hydroxy-5-cholestenoic acid ChemIDplus 3beta-Hydroxy-5-cholestenoic acid ChemIDplus Manual Xrefs Databases C17333 KEGG COMPOUND HMDB0012453 HMDB View more database links Registry Numbers Types Sources 3170242 Reaxys Registry Number Reaxys 6561-58-6 CAS Registry Number KEGG COMPOUND 6561-58-6 CAS Registry Number ChemIDplus Citation Type Source 20843794 PubMed citation Europe PMC Last Modified 12 August 2021