CHEBI:62043 - 3β-hydroxy-5α-pregnan-20-one hemisuccinate

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ChEBI Name 3β-hydroxy-5α-pregnan-20-one hemisuccinate ChEBI ID CHEBI:62043 ChEBI ASCII Name 3beta-hydroxy-5alpha-pregnan-20-one hemisuccinate Definition A sterol ester that is the O-succinoyl derivative of 3β-hydroxy-5α-pregnan-20-one. 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 C25H38O5 Net Charge 0 Average Mass 418.56620 Monoisotopic Mass 418.27192 InChI InChI=1S/C25H38O5/c1-15(26)19-6-7-20-18-5-4-16-14-17(30-23(29)9-8-22(27)28)10-12-24(16,2)21(18)11-13-25(19,20)3/h16-21H,4-14H2,1-3H3,(H,27,28)/t16-,17-,18-,19+,20-,21-,24-,25+/m0/s1 InChIKey UVTGFMKBPVLATL-DSOJQRAMSA-N SMILES [H][C@@]12CC[C@@]3([H])[C@]4([H])CC[C@H](C(C)=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@@H](C2)OC(=O)CCC(O)=O Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing 3β-hydroxy-5α-pregnan-20-one hemisuccinate (CHEBI:62043) is a 20-oxo steroid (CHEBI:36885) 3β-hydroxy-5α-pregnan-20-one hemisuccinate (CHEBI:62043) is a dicarboxylic acid monoester (CHEBI:36244) 3β-hydroxy-5α-pregnan-20-one hemisuccinate (CHEBI:62043) is a hemisuccinate (CHEBI:138979) 3β-hydroxy-5α-pregnan-20-one hemisuccinate (CHEBI:62043) is a sterol ester (CHEBI:35915) IUPAC Name 4-oxo-4-{[(3β,5α)-20-oxopregnan-3-yl]oxy}butanoic acid Synonyms Sources 3β-hydroxy-5α-pregnan-20-one hydrogen succinate ChEBI 3β-hydroxy-5α-pregnan-20-one succinate ChEBI succinic acid mono-(20-oxo-5α-pregnan-3β-yl ester) ChEBI Registry Number Type Source 3225990 Reaxys Registry Number Reaxys Citation Type Source 8496956 PubMed citation Europe PMC Last Modified 09 November 2017