CHEBI:60303 - testosterone-3-CMO-Hist

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name testosterone-3-CMO-Hist
ChEBI ID CHEBI:60303
Definition An oxime O-ether that is the histamine derivative of testosterone 3-(O-carboxymethyl)oxime.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C26H38N4O3
Net Charge 0
Average Mass 454.60490
Monoisotopic Mass 454.29439
InChI InChI=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
InChIKey JCZWRYDTPWMMKC-IXKNJLPQSA-N
SMILES [H][C@@]12CCC3=CC(CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H])=NOCC(=O)NCCc1c[nH]cn1
ChEBI Ontology
Outgoing 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 (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 derivative ChEBI
Citation Waiting for Citations Type Source
10400384 PubMed citation Europe PMC
Last Modified
11 May 2018