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:4345 - Decaline
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
Decaline
ChEBI ID
CHEBI:4345
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
C26H31NO5
Net Charge
0
Average Mass
437.529
Monoisotopic Mass
437.22022
InChI
InChI=1S/C26H31NO5/c1-
29-
24-
15-
21-
22-
14-
20(13-
18-
5-
3-
4-
12-
27(18)
22)
32-
26(28)
11-
8-
17-
6-
9-
19(10-
7-
17)
31-
23(21)
16-
25(24)
30-
2/h6-
7,9-
10,15-
16,18,20,22H,3-
5,8,11-
14H2,1-
2H3/t18-
,20-
,22-
/m0/s1
InChIKey
PXXNTAGJWPJAGM-VCOUNFBDSA-N
SMILES
COc1cc2Oc3ccc(CCC(=O)O[C@H]4C[C@@H]5CCCCN5[C@@H](C4)c2cc1OC)cc3
ChEBI Ontology
Outgoing
Decaline (
CHEBI:4345
)
is a
macrolide (
CHEBI:25106
)
Synonym
Source
Decaline
KEGG COMPOUND
Manual Xrefs
Databases
C00002334
KNApSAcK
C10589
KEGG COMPOUND
View more database links
Registry Number
Type
Source
14727-56-1
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014