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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:3476 - Ceanothine B
Main
ChEBI Ontology
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ChEBI Name
Ceanothine B
ChEBI ID
CHEBI:3476
Stars
This entity has been manually annotated by a third party.
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Formula
C29H36N4O4
Net Charge
0
Average Mass
504.622
Monoisotopic Mass
504.27366
InChI
InChI=1S/C29H36N4O4/c1-
19(2)
26-
25(32-
28(35)
24-
10-
7-
17-
33(24)
3)
29(36)
31-
23(18-
21-
8-
5-
4-
6-
9-
21)
27(34)
30-
16-
15-
20-
11-
13-
22(37-
26)
14-
12-
20/h4-
6,8-
9,11-
16,19,23-
26H,7,10,17-
18H2,1-
3H3,(H,30,34)
(H,31,36)
(H,32,35)
/b16-
15-
/t23-
,24-
,25-
,26-
/m0/s1
InChIKey
IDZLSIWTJUALRQ-JKNOKTCPSA-N
SMILES
CC(C)[C@@H]1Oc2ccc(cc2)\C=C/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]1NC(=O)[C@@H]1CCCN1C
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
Ceanothine B (
CHEBI:3476
)
is a
cyclic peptide (
CHEBI:23449
)
Synonym
Source
Ceanothine B
KEGG COMPOUND
Manual Xrefs
Databases
C00001996
KNApSAcK
C10001
KEGG COMPOUND
View more database links
Registry Number
Type
Source
19471-43-3
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014