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:81223 - Kukoamine D
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
Kukoamine D
ChEBI ID
CHEBI:81223
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
C28H42N4O6
Net Charge
0
Average Mass
530.65630
Monoisotopic Mass
530.31044
InChI
InChI=1S/C28H42N4O6/c29-
13-
3-
15-
30-
14-
1-
2-
17-
32(28(38)
12-
8-
22-
6-
10-
24(34)
26(36)
20-
22)
18-
4-
16-
31-
27(37)
11-
7-
21-
5-
9-
23(33)
25(35)
19-
21/h5-
6,9-
10,19-
20,30,33-
36H,1-
4,7-
8,11-
18,29H2,(H,31,37)
InChIKey
VZOUDULKCUBJHR-UHFFFAOYSA-N
SMILES
NCCCNCCCCN(CCCNC(=O)CCc1ccc(O)c(O)c1)C(=O)CCc1ccc(O)c(O)c1
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
Kukoamine D (
CHEBI:81223
)
is a
amine (
CHEBI:32952
)
Manual Xrefs
Databases
C17618
KEGG COMPOUND
HMDB0060527
HMDB
View more database links