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InChI=1S/CH4O/c1-2/h2H,1H3
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caffeine
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ChEBI
> Main
CHEBI:17417 -
N
-caffeoylputrescine
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ChEBI Ontology
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ChEBI Name
N
-caffeoylputrescine
ChEBI ID
CHEBI:17417
ChEBI ASCII Name
N-caffeoylputrescine
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:7254, CHEBI:21684, CHEBI:12494
Supplier Information
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Formula
C13H18N2O3
Net Charge
0
Average Mass
250.29370
Monoisotopic Mass
250.13174
InChI
InChI=1S/C13H18N2O3/c14-
7-
1-
2-
8-
15-
13(18)
6-
4-
10-
3-
5-
11(16)
12(17)
9-
10/h3-
6,9,16-
17H,1-
2,7-
8,14H2,(H,15,18)
/b6-
4+
InChIKey
KTZNZCYTXQYEHT-GQCTYLIASA-N
SMILES
NCCCCNC(=O)\C=C\c1ccc(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
N
-caffeoylputrescine (
CHEBI:17417
)
is a
N
-substituted putrescine (
CHEBI:26406
)
N
-caffeoylputrescine (
CHEBI:17417
)
is conjugate base of
N
-caffeoylputrescinium(1+) (
CHEBI:58138
)
Incoming
N
-caffeoylputrescine glycoside (
CHEBI:142426
)
has functional parent
N
-caffeoylputrescine (
CHEBI:17417
)
N
-caffeoylputrescinium(1+) (
CHEBI:58138
)
is conjugate acid of
N
-caffeoylputrescine (
CHEBI:17417
)
IUPAC Name
(2
E
)-
N
-(4-aminobutyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide
Synonyms
Sources
(2
E
)-
N
-(4-aminobutyl)-3-(3,4-dihydroxyphenyl)acrylamide
ChEBI
N-Caffeoylputrescine
KEGG COMPOUND
Manual Xref
Database
C00002719
KNApSAcK
View more database links
Last Modified
28 July 2014