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:113170 - LSM-24581
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
LSM-24581
ChEBI ID
CHEBI:113170
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
C16H18N4O2
Net Charge
0
Average Mass
298.340
Monoisotopic Mass
298.14298
InChI
InChI=1S/C16H18N4O2/c1-
2-
5-
12-
15(10-
19)
13(20)
22-
16(21-
12)
7-
4-
3-
6-
11(16)
14(15,8-
17)
9-
18/h11-
12,20H,2-
7H2,1H3
InChIKey
GXTWAXDCKTXFAL-UHFFFAOYSA-N
SMILES
CCCC1C2(C(=N)OC3(O1)CCCCC3C2(C#N)C#N)C#N
ChEBI Ontology
Outgoing
LSM-24581 (
CHEBI:113170
)
is a
ketal (
CHEBI:59777
)
Manual Xref
Database
LSM-24581
LINCS
View more database links