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:91526 - LSM-1313
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
LSM-1313
ChEBI ID
CHEBI:91526
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
C40H43N3O6
Net Charge
0
Average Mass
661.787
Monoisotopic Mass
661.31519
InChI
InChI=1S/C40H43N3O6/c44-
25-
7-
5-
21-
13-
27-
39(46)
15-
23-
24-
16-
40(47)
28-
14-
22-
6-
8-
26(45)
34-
30(22)
38(40,10-
12-
43(28)
18-
20-
3-
4-
20)
36(49-
34)
32(24)
41-
31(23)
35-
37(39,29(21)
33(25)
48-
35)
9-
11-
42(27)
17-
19-
1-
2-
19/h5-
8,19-
20,27-
28,35-
36,41,44-
47H,1-
4,9-
18H2
InChIKey
APSUXPSYBJVPPS-UHFFFAOYSA-N
SMILES
C1CC1CN2CCC34C5C6=C(CC3(C2CC7=C4C(=C(C=C7)
O)
O5)
O)
C8=C(N6)
C9C%
10%
11CCN(C(C%
10(C8)
O)
CC%
12=C%
11C(=C(C=C%
12)
O)
O9)
CC%
13CC%
13
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
LSM-1313 (
CHEBI:91526
)
is a
morphinane alkaloid (
CHEBI:25418
)
Manual Xref
Database
LSM-1313
LINCS
View more database links