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CHEBI:60303 - testosterone-3-CMO-Hist

ChEBI IDCHEBI:60303
ChEBI Nametestosterone-3-CMO-Hist
Stars
DefinitionAn oxime O-ether that is the histamine derivative of testosterone 3-(O-carboxymethyl)oxime.
Last Modified11 May 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC26H38N4O3
Net Charge0
Average Mass454.615
Monoisotopic Mass454.29439
SMILES[H][C@@]12CCC3=CC(=NOCC(=O)NCCc4cncn4)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H]
InChIInChI=1S/C26H38N4O3/c1-25-10-7-18(30-33-15-24(32)28-12-9-19-14-27-16-29-19)13-17(25)3-4-20-21-5-6-23(31)26(21,2)11-8-22(20)25/h13-14,16,20-23,31H,3-12,15H2,1-2H3,(H,27,29)(H,28,32)/t20-,21-,22-,23-,25-,26-/m0/s1
InChIKeyJCZWRYDTPWMMKC-IXKNJLPQSA-N
ChEBI Ontology
Outgoing Relation(s)
testosterone-3-CMO-Hist (CHEBI:60303) has functional parent histamine (CHEBI:18295)
testosterone-3-CMO-Hist (CHEBI:60303) has functional parent testosterone (CHEBI:17347)
testosterone-3-CMO-Hist (CHEBI:60303) is a oxime O-ether (CHEBI:36816)
Incoming Relation(s)
(E)-testosterone-3-CMO-Hist (CHEBI:60304) is a testosterone-3-CMO-Hist (CHEBI:60303)
(Z)-testosterone-3-CMO-Hist (CHEBI:60305) is a testosterone-3-CMO-Hist (CHEBI:60303)
IUPAC Name 
2-{[(17β-hydroxyandrost-4-en-3-ylidene)amino]oxy}-N-[2-(1H-imidazol-4-yl)ethyl]acetamide
Synonym  Source
3-(O-carboxymethyl)oxime histamine derivativeChEBI
Citations