Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/H2O/h1H2
,
water
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
OntoQuery
libChEBI
Web Services
ChEBI
> Main
CHEBI:50431 - pre-putrebactin
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
pre-putrebactin
ChEBI ID
CHEBI:50431
Stars
This entity has been manually annotated by the ChEBI Team.
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
C16H30N4O7
Net Charge
0
Average Mass
390.43216
Monoisotopic Mass
390.211
InChI
InChI=1S/C16H30N4O7/c17-
9-
1-
3-
11-
19(26)
14(22)
6-
5-
13(21)
18-
10-
2-
4-
12-
20(27)
15(23)
7-
8-
16(24)
25/h26-
27H,1-
12,17H2,(H,18,21)
(H,24,25)
InChIKey
MMTPETIUERTJQL-UHFFFAOYSA-N
SMILES
NCCCCN(O)C(=O)CCC(=O)NCCCCN(O)C(=O)CCC(O)=O
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
pre-putrebactin (
CHEBI:50431
)
is a
monocarboxylic acid (
CHEBI:25384
)
IUPAC Name
4-
{[4-
({4-
[(4-
aminobutyl)(hydroxy)amino]-
4-
oxobutanoyl}amino)butyl](hydroxy)amino}-
4-
oxobutanoic acid
Last Modified
12 agosto 2008