CHEBI:62044 - (20R)-20-(carboxymethyl)oxypregn-4-en-3-one

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name (20R)-20-(carboxymethyl)oxypregn-4-en-3-one ChEBI ID CHEBI:62044 ChEBI ASCII Name (20R)-20-(carboxymethyl)oxypregn-4-en-3-one Definition A steroid acid comprising (20R)-20-hydroxypregn-4-en-3-one having a carboxymethyl group attached to the 20-hydroxy function. 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 C23H34O4 Net Charge 0 Average Mass 374.51370 Monoisotopic Mass 374.24571 InChI InChI=1S/C23H34O4/c1-14(27-13-21(25)26)18-6-7-19-17-5-4-15-12-16(24)8-10-22(15,2)20(17)9-11-23(18,19)3/h12,14,17-20H,4-11,13H2,1-3H3,(H,25,26)/t14-,17+,18-,19+,20+,22+,23-/m1/s1 InChIKey VUKWZNZHAKAFNU-LBPUPLFVSA-N SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@@H](C)OCC(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 (20R)-20-(carboxymethyl)oxypregn-4-en-3-one (CHEBI:62044) is a 3-oxo-Δ4 steroid (CHEBI:47909) (20R)-20-(carboxymethyl)oxypregn-4-en-3-one (CHEBI:62044) is a monocarboxylic acid (CHEBI:25384) (20R)-20-(carboxymethyl)oxypregn-4-en-3-one (CHEBI:62044) is a steroid acid (CHEBI:47891) IUPAC Name {[(20R)-3-oxopregn-4-en-20-yl]oxy}acetic acid Synonym Source (20R)-20-hydroxypregn-4-en-3-one carboxymethyl ether ChEBI Citation Type Source 8496956 PubMed citation Europe PMC Last Modified 05 December 2013