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CHEBI:31677 - hydrocortisone succinate

ChEBI IDCHEBI:31677
ChEBI Namehydrocortisone succinate
Stars
DefinitionA derivative of succinic acid in which one of the carboxy groups is esterified by the C-21 hydroxy group of cortisol (hydrocortisone).
Secondary ChEBI IDCHEBI:199284
Last Modified7 February 2018
DownloadsMolfile
FormulaC25H34O8
Net Charge0
Average Mass462.539
Monoisotopic Mass462.22537
SMILES[H][C@@]12CC[C@](O)(C(=O)COC(=O)CCC(=O)O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@@]21C
InChIInChI=1S/C25H34O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h11,16-18,22,27,32H,3-10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1
InChIKeyVWQWXZAWFPZJDA-CGVGKPPMSA-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)
hydrocortisone succinate (CHEBI:31677) has functional parent cortisol (CHEBI:17650)
hydrocortisone succinate (CHEBI:31677) is a dicarboxylic acid monoester (CHEBI:36244)
hydrocortisone succinate (CHEBI:31677) is a hemisuccinate (CHEBI:138979)
hydrocortisone succinate (CHEBI:31677) is a tertiary α-hydroxy ketone (CHEBI:139592)
Synonyms  Source
Hydrocortisone succinateKEGG COMPOUND
11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-(hydrogensuccinate)KEGG COMPOUND
11β,17α,21-trihydroxypregn-4-ene-3,20-dione 21-succinateLIPID MAPS
Cortisol succinateKEGG COMPOUND
Manual XrefsDatabases
C12888KEGG COMPOUND
LMST02030126LIPID MAPS
D01442KEGG DRUG
LSM-5816LINCS
4456DrugCentral