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CHEBI:79929 - 17,21-Dihydroxypregn-4-ene-3,11,20-trione 21-(hydrogensuccinate)

ChEBI IDCHEBI:79929
ChEBI Name17,21-Dihydroxypregn-4-ene-3,11,20-trione 21-(hydrogensuccinate)
Stars
Last Modified9 November 2017
DownloadsMolfile
FormulaC25H32O8
Net Charge0
Average Mass460.523
Monoisotopic Mass460.20972
SMILES[H][C@@]12CC[C@](O)(C(=O)COC(=O)CCC(=O)O)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@@]21C
InChIInChI=1S/C25H32O8/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/h11,16-17,22,32H,3-10,12-13H2,1-2H3,(H,29,30)/t16-,17-,22+,23-,24-,25-/m0/s1
InChIKeyWVSVAJGDZIWYBX-WFLBVZAHSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
hormone  Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds.
ChEBI Ontology
Outgoing Relation(s)
17,21-Dihydroxypregn-4-ene-3,11,20-trione 21-(hydrogensuccinate) (CHEBI:79929) is a corticosteroid hormone (CHEBI:36699)
17,21-Dihydroxypregn-4-ene-3,11,20-trione 21-(hydrogensuccinate) (CHEBI:79929) is a hemisuccinate (CHEBI:138979)
Synonyms  Source
Cortisone 21-succinateKEGG COMPOUND
21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-3,11,20-trioneKEGG COMPOUND
Manual XrefsDatabases
C15429KEGG COMPOUND