CHEBI:86380 - amorolfine(1+)

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ChEBI Name amorolfine(1+)
ChEBI ID CHEBI:86380
Definition An ammonium ion resulting from the protonation of the nitrogen of amorolfine.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H36NO
Net Charge +1
Average Mass 318.51610
Monoisotopic Mass 318.27914
InChI InChI=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+
InChIKey MQHLMHIZUIDKOO-AYHJJNSGSA-O
SMILES CCC(C)(C)c1ccc(CC(C)C[NH+]2C[C@H](C)O[C@H](C)C2)cc1
Roles Classification
Biological Role(s): EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor
An EC 5.3.3.* (intramolecular oxidase transposing C2C bonds) inhibitor that interferes with the action of a cholestenol Delta-isomerase (EC 5.3.3.5).
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 Delta14-sterol reductase (EC 1.3.1.70).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 base of amorolfine (CHEBI:599440)
Incoming amorolfine hydrochloride (CHEBI:59649) has part amorolfine(1+) (CHEBI:86380)
amorolfine (CHEBI:599440) is conjugate acid 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
Last Modified
09 July 2015