CHEBI:88109 - 7α-hydroxy-3-oxochol-4-en-24-oic acid

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ChEBI Name 7α-hydroxy-3-oxochol-4-en-24-oic acid ChEBI ID CHEBI:88109 ChEBI ASCII Name 7alpha-hydroxy-3-oxochol-4-en-24-oic acid Definition A 3-oxo Δ4-steroid that is 3-oxochol-4-en-24-oic acid carrying an additional 7α-hydroxy substituent. 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 C24H36O4 Net Charge 0 Average Mass 388.541 Monoisotopic Mass 388.26136 InChI InChI=1S/C24H36O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h12,14,17-20,22,26H,4-11,13H2,1-3H3,(H,27,28)/t14-,17-,18+,19+,20-,22+,23+,24-/m1/s1 InChIKey CFLVYJJIZHNITM-NLXMLWGDSA-N SMILES C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3([C@@H](CC2=CC(C1)=O)O)[H])(CC[C@@]4([C@@H](CCC(=O)O)C)[H])[H])C)[H])C Metabolite of Species Details Homo sapiens (NCBI:txid9606) 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): human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. View more via ChEBI Ontology ChEBI Ontology Outgoing 7α-hydroxy-3-oxochol-4-en-24-oic acid (CHEBI:88109) has functional parent 7α,12α-dihydroxy-3-oxochol-4-en-24-oic acid (CHEBI:49269) 7α-hydroxy-3-oxochol-4-en-24-oic acid (CHEBI:88109) has role human urinary metabolite (CHEBI:84087) 7α-hydroxy-3-oxochol-4-en-24-oic acid (CHEBI:88109) is a 3-oxo-Δ4 steroid (CHEBI:47909) 7α-hydroxy-3-oxochol-4-en-24-oic acid (CHEBI:88109) is a 7α-hydroxy steroid (CHEBI:36843) 7α-hydroxy-3-oxochol-4-en-24-oic acid (CHEBI:88109) is a bile acid (CHEBI:3098) 7α-hydroxy-3-oxochol-4-en-24-oic acid (CHEBI:88109) is a cholenoic acid (CHEBI:49273) 7α-hydroxy-3-oxochol-4-en-24-oic acid (CHEBI:88109) is conjugate acid of 7α-hydroxy-3-oxochol-4-en-24-oate (CHEBI:87747) Incoming 7α-hydroxy-3-oxochol-4-en-24-oate (CHEBI:87747) is conjugate base of 7α-hydroxy-3-oxochol-4-en-24-oic acid (CHEBI:88109) IUPAC Name 7α-hydroxy-3-oxochol-4-en-24-oic acid Synonyms Sources (7α)-7-hydroxy-3-oxochol-4-en-24-oic acid IUPAC (7alpha)-7-Hydroxy-3-oxochol-4-en-24-oic acid ChemIDplus 3-Oxo-7-hydroxychol-4-enoic acid ChemIDplus 3-Oxo-7alpha-hydroxychol-4-enoic acid ChemIDplus 7alpha-Hydroxy-3-oxochol-4-en-24-oic acid ChemIDplus Manual Xref Database LMST04010239 LIPID MAPS View more database links Registry Numbers Types Sources 14772-95-3 CAS Registry Number ChemIDplus 5616701 Reaxys Registry Number Reaxys Citations Types Sources 11486816 PubMed citation Europe PMC 19996111 PubMed citation Europe PMC 4402887 PubMed citation Europe PMC 8808760 PubMed citation Europe PMC 9514540 PubMed citation Europe PMC Last Modified 05 October 2015