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:9951 - veratramine
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
veratramine
ChEBI ID
CHEBI:9951
Definition
A piperidine alkaloid comprising the 14,15,16,17-tetradehydro derivative of veratraman having two hydroxy groups at the 3- and 23-positions.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
more structures >>
Molfile
Formula
C27H39NO2
Net Charge
0
Average Mass
409.60410
Monoisotopic Mass
409.29808
InChI
InChI=1S/C27H39NO2/c1-
15-
11-
25(30)
26(28-
14-
15)
17(3)
20-
7-
8-
21-
22-
6-
5-
18-
12-
19(29)
9-
10-
27(18,4)
24(22)
13-
23(21)
16(20)
2/h5,7-
8,15,17,19,22,24-
26,28-
30H,6,9-
14H2,1-
4H3/t15-
,17-
,19-
,22-
,24-
,25+,26-
,27-
/m0/s1
InChIKey
MALFODICFSIXPO-KFKQDBFTSA-N
SMILES
[H][C@]1(NC[C@@H](C)C[C@H]1O)[C@@H](C)c1ccc2c(C[C@@]3([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]32C)c1C
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via
alkaloid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
veratramine (
CHEBI:9951
)
has parent hydride
veratraman (
CHEBI:36374
)
veratramine (
CHEBI:9951
)
is a
piperidine alkaloid (
CHEBI:26147
)
IUPAC Name
(3β,23
R
)-14,15,16,17-tetradehydroveratraman-3,23-diol
Synonyms
Sources
(3β,23β)-14,15,16,17-tetradehydroveratraman-3,23-diol
ChemIDplus
Veratramine
KEGG COMPOUND
Manual Xrefs
Databases
C00002270
KNApSAcK
C10829
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
55515
Reaxys Registry Number
Reaxys
60-70-8
CAS Registry Number
ChemIDplus
Last Modified
28 July 2014