EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:60293 - testosterone (E)-3-(O-carboxymethyl)oxime

ChEBI IDCHEBI:60293
ChEBI Nametestosterone (E)-3-(O-carboxymethyl)oxime
Stars
ASCII Nametestosterone (E)-3-(O-carboxymethyl)oxime
DefinitionThe E (anti) isomer of testosterone 3-(O-carboxymethyl)oxime.
Last Modified8 May 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC21H31NO4
Net Charge0
Average Mass361.482
Monoisotopic Mass361.22531
SMILES[H][C@@]12CCC3=C/C(=N/OCC(=O)O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H]
InChIInChI=1S/C21H31NO4/c1-20-9-7-14(22-26-12-19(24)25)11-13(20)3-4-15-16-5-6-18(23)21(16,2)10-8-17(15)20/h11,15-18,23H,3-10,12H2,1-2H3,(H,24,25)/b22-14+/t15-,16-,17-,18-,20-,21-/m0/s1
InChIKeyVDYLVWGBLQNNAW-UVTKPVMCSA-N
ChEBI Ontology
Outgoing Relation(s)
testosterone (E)-3-(O-carboxymethyl)oxime (CHEBI:60293) is a testosterone 3-(O-carboxymethyl)oxime (CHEBI:60297)
IUPAC Name 
({[(3E)-17β-hydroxyandrost-4-en-3-ylidene]amino}oxy)acetic acid
Synonyms  Source
anti-testosterone-3-CMOChEBI
testosterone (anti)-3-(O-carboxymethyl)oximeChEBI
(E)-testosterone-3-CMOChEBI
Registry NumbersSources
Reaxys:2227101Reaxys
Citations