CHEBI:62112 - 11-deoxycorticosterone-21-hemisuccinate

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ChEBI Name 11-deoxycorticosterone-21-hemisuccinate ChEBI ID CHEBI:62112 Definition A dicarboxylic acid monoester that is the 21-(hydrogen succinate) derivative of 11-deoxycorticosterone. 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 C25H34O6 Net Charge 0 Average Mass 430.53390 Monoisotopic Mass 430.23554 InChI InChI=1S/C25H34O6/c1-24-11-9-16(26)13-15(24)3-4-17-18-5-6-20(25(18,2)12-10-19(17)24)21(27)14-31-23(30)8-7-22(28)29/h13,17-20H,3-12,14H2,1-2H3,(H,28,29)/t17-,18-,19-,20+,24-,25-/m0/s1 InChIKey CYWICJWKZPXJSA-PQWRYPMOSA-N SMILES [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])C(=O)COC(=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 11-deoxycorticosterone-21-hemisuccinate (CHEBI:62112) has functional parent 11-deoxycorticosterone (CHEBI:16973) 11-deoxycorticosterone-21-hemisuccinate (CHEBI:62112) has functional parent succinic acid (CHEBI:15741) 11-deoxycorticosterone-21-hemisuccinate (CHEBI:62112) is a 20-oxo steroid (CHEBI:36885) 11-deoxycorticosterone-21-hemisuccinate (CHEBI:62112) is a 3-oxo-Δ4 steroid (CHEBI:47909) 11-deoxycorticosterone-21-hemisuccinate (CHEBI:62112) is a dicarboxylic acid monoester (CHEBI:36244) 11-deoxycorticosterone-21-hemisuccinate (CHEBI:62112) is a hemisuccinate (CHEBI:138979) 11-deoxycorticosterone-21-hemisuccinate (CHEBI:62112) is a steroid ester (CHEBI:47880) IUPAC Name 4-[(3,20-dioxopregn-4-en-21-yl)oxy]-4-oxobutanoic acid Synonyms Sources 11-Deoxycorticosterone hydrogen succinate KEGG COMPOUND 21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-3,20-dione KEGG COMPOUND 21-hydroxypregn-4-ene-3,20-dione 21-(hydrogen succinate) ChemIDplus 21-hydroxyprogesterone 21-(hydrogen succinate) ChEBI 21-hydroxyprogesterone 21-hemisuccinate ChEBI 4-(progesteron-21-yloxy)-4-oxobutanoic acid ChEBI deoxycorticosterone-21-hemisuccinate ChEBI P4-21-HS ChEBI succinic acid mono-(3,20-dioxo-pregn-4-en-21-yl ester) ChEBI Manual Xref Database C15425 KEGG COMPOUND View more database links Registry Numbers Types Sources 10215-74-4 CAS Registry Number ChemIDplus 2513401 Reaxys Registry Number Reaxys Citation Type Source 18791859 PubMed citation Europe PMC Last Modified 09 November 2017