Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:81475 - N-Desmethylzolmitriptan
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
N-Desmethylzolmitriptan
ChEBI ID
CHEBI:81475
Stars
This entity has been manually annotated by a third party.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C15H19N3O2
Net Charge
0
Average Mass
273.33030
Monoisotopic Mass
273.14773
InChI
InChI=1S/C15H19N3O2/c1-
16-
5-
4-
11-
8-
17-
14-
3-
2-
10(7-
13(11)
14)
6-
12-
9-
20-
15(19)
18-
12/h2-
3,7-
8,12,16-
17H,4-
6,9H2,1H3,(H,18,19)
/t12-
/m1/s1
InChIKey
QGGCHSMZXKNGCK-GFCCVEGCSA-N
SMILES
CNCCc1c[nH]c2ccc(C[C@@H]3COC(=O)N3)cc12
ChEBI Ontology
Outgoing
N-Desmethylzolmitriptan (
CHEBI:81475
)
is a
tryptamines (
CHEBI:27162
)
Synonym
Source
183C91
KEGG COMPOUND
Manual Xref
Database
C18056
KEGG COMPOUND
View more database links
Registry Number
Type
Source
139264-35-0
CAS Registry Number
KEGG COMPOUND