CHEBI:233177 - (1S,4S)-4-[(4-methoxyphenyl)methyl]-2,5-diazaspiro[bicyclo[3.2.1]octane-6,1'-cyclohexan]-4'-one(1+)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (1S,4S)-4-[(4-methoxyphenyl)methyl]-2,5-diazaspiro[bicyclo[3.2.1]octane-6,1'-cyclohexan]-4'-one(1+)
ChEBI ID CHEBI:233177
ChEBI ASCII Name (1S,4S)-4-[(4-methoxyphenyl)methyl]-2,5-diazaspiro[bicyclo[3.2.1]octane-6,1'-cyclohexan]-4'-one(1+)
Definition Major species at pH 7.3.
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C19H27N2O2
Net Charge +1
Average Mass 315.436
Monoisotopic Mass 315.20670
InChI InChI=1S/C19H26N2O2/c1-23-18-4-2-14(3-5-18)10-16-12-20-15-11-19(21(16)13-15)8-6-17(22)7-9-19/h2-5,15-16,20H,6-13H2,1H3/p+1/t15-,16-/m0/s1
InChIKey CLJPQCXDNQXJBW-HOTGVXAUSA-O
SMILES C1[C@@H]([NH+]2C[C@@H](N1)CC23CCC(=O)CC3)CC=4C=CC(=CC4)OC
ChEBI Ontology
Outgoing (1S,4S)-4-[(4-methoxyphenyl)methyl]-2,5-diazaspiro[bicyclo[3.2.1]octane-6,1'-cyclohexan]-4'-one(1+) (CHEBI:233177) is a tertiary ammonium ion (CHEBI:137982)
Synonym Source
(1S,4S)-4-[(4-methoxyphenyl)methyl]-2,5-diazaspiro[bicyclo[3.2.1]octane-6,1'-cyclohexan]-4'-one UniProt
Citation
Zhang Z, Tamura Y, Tang M, Qiao T, Sato M, Otsu Y, Sasamura S, Taniguchi M, Watanabe K, Tang Y (2021)
Biosynthesis of the Immunosuppressant (-)-FR901483.
Journal of the American Chemical Society 143, 132-136 (Source: SUBMITTER) [PubMed:33372776]
[show Abstract]