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(Q76084680)
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Azotochelin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2,6-bis({[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino})hexanoic acid
1 reference
based on heuristic
inferred from SMILES
mass
418.13761566399995
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₀H₂₂N₂O₈
0 references
canonical SMILES
O=C(NCCCCC(NC(=O)c1cccc(O)c1O)C(=O)O)c1cccc(O)c1O
0 references
isomeric SMILES
C1=CC(=C(C(=C1)O)O)C(=O)NCCCC[C@@H](C(=O)O)NC(=O)C2=C(C(=CC=C2)O)O
0 references
found in taxon
Azotobacter vinelandii
2 references
stated in
Production of the triacetecholate siderophore protochelin by Azotobacter vinelandii
stated in
Isolation and identification of 2,3-dihydroxybenzoic acid and .N2,N6-di(2,3-dihydroxybenzoyl)-L-lysine formed by iron-deficient Azotobacter vinelandii
Identifiers
InChI
InChI=1S/C20H22N2O8/c23-14-8-3-5-11(16(14)25)18(27)21-10-2-1-7-13(20(29)30)22-19(28)12-6-4-9-15(24)17(12)26/h3-6,8-9,13,23-26H,1-2,7,10H2,(H,21,27)(H,22,28)(H,29,30)/t13-/m0/s1
0 references
InChIKey
KQPFLOCEYZIIRD-ZDUSSCGKSA-N
0 references
CAS Registry Number
23369-85-9
0 references
PubChem CID
193592
1 reference
matched by identifier from
InChIKey
InChIKey
KQPFLOCEYZIIRD-ZDUSSCGKSA-N
ChEBI ID
165185
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C20H22N2O8/c23-14-8-3-5-11(16(14)25)18(27)21-10-2-1-7-13(20(29)30)22-19(28)12-6-4-9-15(24)17(12)26/h3-6,8-9,13,23-26H,1-2,7,10H2,(H,21,27)(H,22,28)(H,29,30)/t13-/m0/s1
UniChem compound ID
134478
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50946040
1 reference
matched by identifier from
InChIKey
InChIKey
KQPFLOCEYZIIRD-ZDUSSCGKSA-N
DSSTOX compound identifier
DTXCID901374336
0 references
Natural Product Atlas ID
NPA032747
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KQPFLOCEYZIIRD-ZDUSSCGKSA-N
Probes And Drugs ID
PD148584
0 references
PDB ligand ID
95B
0 references
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