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:3869 - Convoline
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
Convoline
ChEBI ID
CHEBI:3869
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
C16H21NO5
Net Charge
0
Average Mass
307.342
Monoisotopic Mass
307.14197
InChI
InChI=1S/C16H21NO5/c1-
20-
14-
6-
3-
10(7-
15(14)
21-
2)
16(18)
22-
13-
8-
11-
4-
5-
12(9-
13)
17(11)
19/h3,6-
7,11-
13,19H,4-
5,8-
9H2,1-
2H3
InChIKey
QKXIPWXFQDIWOM-UHFFFAOYSA-N
SMILES
COc1ccc(cc1OC)C(=O)O[C@H]1CC2CCC(C1)N2O
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
Convoline (
CHEBI:3869
)
is a
methoxybenzoic acid (
CHEBI:25238
)
Synonym
Source
Convoline
KEGG COMPOUND
Manual Xrefs
Databases
C00002288
KNApSAcK
C10855
KEGG COMPOUND
View more database links
Registry Number
Type
Source
89783-61-9
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014