CHEBI:45352 - 3β-hydroxy-5β-pregnan-20-one hemisuccinate

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ChEBI Name 3β-hydroxy-5β-pregnan-20-one hemisuccinate
ChEBI ID CHEBI:45352
ChEBI ASCII Name 3beta-hydroxy-5beta-pregnan-20-one hemisuccinate
Definition A sterol ester that is the O-succinoyl derivative of 3β-hydroxy-5β-pregnan-20-one.
Stars This entity has been manually annotated by the ChEBI Team.
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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-/m1/s1
InChIKey UVTGFMKBPVLATL-MFKGMXCUSA-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-5β-pregnan-20-one hemisuccinate (CHEBI:45352) is a 20-oxo steroid (CHEBI:36885)
3β-hydroxy-5β-pregnan-20-one hemisuccinate (CHEBI:45352) is a dicarboxylic acid monoester (CHEBI:36244)
3β-hydroxy-5β-pregnan-20-one hemisuccinate (CHEBI:45352) is a hemisuccinate (CHEBI:138979)
3β-hydroxy-5β-pregnan-20-one hemisuccinate (CHEBI:45352) is a sterol ester (CHEBI:35915)
IUPAC Name
4-oxo-4-{[(3β,5β)-20-oxopregnan-3-yl]oxy}butanoic acid
Synonyms Sources
3β-hydroxy-5β-pregnan-20-one succinate ChEBI
succinic acid mono-(20-oxo-5β-pregnan-3β-yl ester) ChEBI
Manual Xref Database
S5H PDBeChem
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Registry Number Type Source
3225991 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
8496956 PubMed citation Europe PMC
Last Modified
09 November 2017