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:7161 - N-Acetyl-ala-ala-ala-methylester
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
N-Acetyl-ala-ala-ala-methylester
ChEBI ID
CHEBI:7161
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
C12H21N3O5
Net Charge
0
Average Mass
287.313
Monoisotopic Mass
287.14812
InChI
InChI=1S/C12H21N3O5/c1-
6(13-
9(4)
16)
10(17)
14-
7(2)
11(18)
15-
8(3)
12(19)
20-
5/h6-
8H,1-
5H3,(H,13,16)
(H,14,17)
(H,15,18)
/t6-
,7-
,8-
/m0/s1
InChIKey
FKSWBCPVKXRWMC-FXQIFTODSA-N
SMILES
COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O
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-Acetyl-ala-ala-ala-methylester (
CHEBI:7161
)
is a
peptide (
CHEBI:16670
)
Synonyms
Sources
N-Acetyl-ala-ala-ala-methylester
KEGG COMPOUND
NAc-AAA-ME
KEGG COMPOUND
Manual Xref
Database
C11329
KEGG COMPOUND
View more database links
Registry Number
Type
Source
26910-17-8
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014