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ChEBI
> Main
CHEBI:61152 - desferriexochelin 772MS
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ChEBI Name
desferriexochelin 772MS
ChEBI ID
CHEBI:61152
Definition
A carboxylic ester-lactam secreted by
Mycobacterium tuberculosis
which is both lipid- and water-soluble and acts as a siderophore.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
R. Stephan
Supplier Information
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Molfile
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SDF
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Formula
C34H49N5O12
Net Charge
0
Average Mass
719.77920
Monoisotopic Mass
719.33777
InChI
InChI=1S/C34H49N5O12/c1-
22(20-
28(41)
35-
24-
13-
8-
11-
19-
39(48)
33(24)
45)
51-
34(46)
25(14-
9-
10-
18-
38(47)
29(42)
16-
4-
3-
5-
17-
30(43)
49-
2)
36-
31(44)
26-
21-
50-
32(37-
26)
23-
12-
6-
7-
15-
27(23)
40/h6-
7,12,15,22,24-
26,40,47-
48H,3-
5,8-
11,13-
14,16-
21H2,1-
2H3,(H,35,41)
(H,36,44)
InChIKey
CICZEXPNYSZNEI-UHFFFAOYSA-N
SMILES
COC(=O)CCCCCC(=O)N(O)CCCCC(NC(=O)C1COC(=N1)c1ccccc1O)C(=O)OC(C)CC(=O)NC1CCCCN(O)C1=O
Roles Classification
Chemical Role
(s):
siderophore
Any of low-molecular-mass iron(
3
)-chelating compounds produced by microorganisms for the purpose of the transport and sequestration of iron.
Biological Role
(s):
siderophore
Any of low-molecular-mass iron(
3
)-chelating compounds produced by microorganisms for the purpose of the transport and sequestration of iron.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
desferriexochelin 772MS (
CHEBI:61152
)
has role
siderophore (
CHEBI:26672
)
desferriexochelin 772MS (
CHEBI:61152
)
is a
1,3-oxazoles (
CHEBI:46812
)
desferriexochelin 772MS (
CHEBI:61152
)
is a
cyclic hydroxamic acid (
CHEBI:23445
)
desferriexochelin 772MS (
CHEBI:61152
)
is a
lactam (
CHEBI:24995
)
desferriexochelin 772MS (
CHEBI:61152
)
is a
methyl ester (
CHEBI:25248
)
Incoming
exochelin 772SM (
CHEBI:61167
)
has functional parent
desferriexochelin 772MS (
CHEBI:61152
)
IUPAC Name
methyl 7-
{hydroxy[6-
({4-
[(1-
hydroxy-
2-
oxoazepan-
3-
yl)amino]-
4-
oxobutan-
2-
yl}oxy)-
5-
({[2-
(2-
hydroxyphenyl)-
4,5-
dihydro-
1,3-
oxazol-
4-
yl]carbonyl}amino)-
6-
oxohexyl]amino}-
7-
oxoheptanoate
Synonym
Source
desferri-exochelin 772MS
ChEBI
Manual Xref
Database
US5786326
Patent
View more database links
Citations
Types
Sources
7761471
PubMed citation
Europe PMC
8666910
PubMed citation
Europe PMC
Last Modified
11 March 2015