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:138835 - Decarbamoylgonyautoxin 1
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
Decarbamoylgonyautoxin 1
ChEBI ID
CHEBI:138835
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
C9H16N6O8S
Net Charge
0
Average Mass
368.325
Monoisotopic Mass
368.07503
InChI
InChI=1S/C9H16N6O8S/c10-
6-
12-
5-
3(2-
16)
15(19)
7(11)
14-
1-
4(23-
24(20,21)
22)
9(17,18)
8(5,14)
13-
6/h3-
5,11,16-
19H,1-
2H2,(H3,10,12,13)
(H,20,21,22)
/t3-
,4+,5-
,8-
/m0/s1
InChIKey
AXKNFGCPJPRVCA-WVBYAZCYSA-N
SMILES
N1(C(N2[C@@]3([C@]([C@@H]1CO)(NC(N3)=N)[H])C([C@@H](C2)OS(O)(=O)=O)(O)O)=N)O
Roles Classification
Biological Role
(s):
marine metabolite
Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
(via
paralytic shellfish toxin
)
toxin
Poisonous substance produced by a biological organism such as a microbe, animal or plant.
(via
paralytic shellfish toxin
)
sodium channel blocker
An agent that inhibits sodium influx through cell membranes.
(via
paralytic shellfish toxin
)
neurotoxin
A poison that interferes with the functions of the nervous system.
(via
paralytic shellfish toxin
)
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
Decarbamoylgonyautoxin 1 (
CHEBI:138835
)
has role
marine metabolite (
CHEBI:76507
)
Decarbamoylgonyautoxin 1 (
CHEBI:138835
)
is a
organic heterotricyclic compound (
CHEBI:26979
)
Decarbamoylgonyautoxin 1 (
CHEBI:138835
)
is a
paralytic shellfish toxin (
CHEBI:167564
)
Manual Xref
Database
C20022
KEGG COMPOUND
View more database links
Last Modified
25 October 2017