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:102380 - LSM-13731
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
LSM-13731
ChEBI ID
CHEBI:102380
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
C27H33N3O5
Net Charge
0
Average Mass
479.569
Monoisotopic Mass
479.24202
InChI
InChI=1S/C27H33N3O5/c1-
35-
19-
10-
5-
7-
17(13-
19)
14-
28-
26(33)
24-
20(16-
31)
22-
15-
29-
21(11-
6-
12-
23(29)
32)
25(24)
30(22)
27(34)
18-
8-
3-
2-
4-
9-
18/h5-
7,10-
13,18,20,22,24-
25,31H,2-
4,8-
9,14-
16H2,1H3,(H,28,33)
/t20-
,22-
,24+,25+/m1/s1
InChIKey
PNHDRDYFFADBCF-KAKDDGLXSA-N
SMILES
COC1=CC=CC(=C1)CNC(=O)[C@H]2[C@@H]([C@H]3CN4C(=O)C=CC=C4[C@@H]2N3C(=O)C5CCCCC5)CO
ChEBI Ontology
Outgoing
LSM-13731 (
CHEBI:102380
)
is a
pyrrolidinecarboxamide (
CHEBI:46770
)
Manual Xref
Database
LSM-13731
LINCS
View more database links