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CHEBI:135355 - pregnenolone succinate

ChEBI IDCHEBI:135355
ChEBI Namepregnenolone succinate
Stars
Last Modified9 November 2017
DownloadsMolfile
FormulaC25H36O5
Net Charge0
Average Mass416.558
Monoisotopic Mass416.25627
SMILES[H][C@@]12CC=C3C[C@@H](OC(=O)CCC(=O)O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](C(C)=O)CC[C@@]21[H]
InChIInChI=1S/C25H36O5/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/h4,17-21H,5-14H2,1-3H3,(H,27,28)/t17-,18-,19+,20-,21-,24-,25+/m0/s1
InChIKeyOZZAYJQNMKMUSD-DMISRAGPSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
pregnenolone succinate (CHEBI:135355) is a hemisuccinate (CHEBI:138979)
pregnenolone succinate (CHEBI:135355) is a steroid ester (CHEBI:47880)
Manual XrefsDatabases
2256DrugCentral
Registry NumbersSources
CAS:4598-67-8DrugCentral