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CHEBI:86380 - amorolfine(1+)

ChEBI IDCHEBI:86380
ChEBI Nameamorolfine(1+)
Stars
DefinitionAn ammonium ion resulting from the protonation of the nitrogen of amorolfine.
Last Modified23 August 2024
SubmitterGareth Owen
DownloadsMolfile
FormulaC21H36NO
Net Charge+1
Average Mass318.525
Monoisotopic Mass318.27914
SMILESCCC(C)(C)c1ccc(CC(C)C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1
InChIInChI=1S/C21H35NO/c1-7-21(5,6)20-10-8-19(9-11-20)12-16(2)13-22-14-17(3)23-18(4)15-22/h8-11,16-18H,7,12-15H2,1-6H3/p+1/t16?,17-,18+
InChIKeyMQHLMHIZUIDKOO-AYHJJNSGSA-O
Roles Classification
Biological Roles:
EC 1.3.1.70 (Delta(14)-sterol reductase) inhibitor  An EC 1.3.1.* (oxidoreductase acting on donor CH-CH group, NAD+ or NADP+ as acceptor) inhibitor that interferes with the action of Δ14-sterol reductase (EC 1.3.1.70).
EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor  An EC 5.3.3.* (intramolecular oxidase transposing C=C bonds) inhibitor that interferes with the action of a cholestenol Δ-isomerase (EC 5.3.3.5).
ChEBI Ontology
Outgoing Relation(s)
amorolfine(1+) (CHEBI:86380) has role EC 1.3.1.70 (Δ14-sterol reductase) inhibitor (CHEBI:83319)
amorolfine(1+) (CHEBI:86380) has role EC 5.3.3.5 (cholestenol Δ-isomerase) inhibitor (CHEBI:86385)
amorolfine(1+) (CHEBI:86380) is a ammonium ion derivative (CHEBI:35274)
amorolfine(1+) (CHEBI:86380) is conjugate acid of amorolfine (CHEBI:599440)
Incoming Relation(s)
amorolfine hydrochloride (CHEBI:59649) has part amorolfine(1+) (CHEBI:86380)
amorolfine (CHEBI:599440) is conjugate base of amorolfine(1+) (CHEBI:86380)
IUPAC Name 
rac-(2R,6S)-2,6-dimethyl-4-{2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl}morpholin-4-ium