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:101598 - LSM-12961
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
LSM-12961
ChEBI ID
CHEBI:101598
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
C24H34N4O5S
Net Charge
0
Average Mass
490.618
Monoisotopic Mass
490.22499
InChI
InChI=1S/C24H34N4O5S/c1-
25-
10-
12-
26(13-
11-
25)
24(31)
21-
18(15-
29)
20-
14-
27-
19(22(21)
28(20)
34(2,32)
33)
9-
8-
17(23(27)
30)
16-
6-
4-
3-
5-
7-
16/h6,8-
9,18,20-
22,29H,3-
5,7,10-
15H2,1-
2H3/t18-
,20-
,21+,22+/m1/s1
InChIKey
NRVZDTJJXPAHOA-YJMBLLCNSA-N
SMILES
CN1CCN(CC1)C(=O)[C@H]2[C@@H]([C@H]3CN4C(=CC=C(C4=O)C5=CCCCC5)[C@@H]2N3S(=O)(=O)C)CO
ChEBI Ontology
Outgoing
LSM-12961 (
CHEBI:101598
)
is a
pyrrolidinecarboxamide (
CHEBI:46770
)
Manual Xref
Database
LSM-12961
LINCS
View more database links