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Pantocin B
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
4-[(2-Aminopropanoylamino)methylamino]-2-methylsulfonyl-4-oxobutanoic acid
1 reference
based on heuristic
inferred from SMILES
mass
295.083806264
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₉H₁₇N₃O₆S
0 references
canonical SMILES
CC(N)C(=O)NCNC(=O)CC(C(=O)O)S(C)(=O)=O
0 references
isomeric SMILES
C[C@H](N)C(=O)NCNC(=O)C[C@H](C(=O)O)S(C)(=O)=O
0 references
found in taxon
Pantoea agglomerans
3 references
stated in
Pantocin B, an Antibiotic fromErwinia herbicolaDiscovered by Heterologous Expression of Cloned Genes
stated in
Pantocin B, an Antibiotic fromErwinia herbicolaDiscovered by Heterologous Expression of Cloned Genes
stated in
Pantocin B, an Antibiotic fromErwinia herbicolaDiscovered by Heterologous Expression of Cloned Genes
Identifiers
InChI
InChI=1S/C9H17N3O6S/c1-5(10)8(14)12-4-11-7(13)3-6(9(15)16)19(2,17)18/h5-6H,3-4,10H2,1-2H3,(H,11,13)(H,12,14)(H,15,16)/t5-,6+/m0/s1
0 references
InChIKey
QPOFRFGIYSXYSK-NTSWFWBYSA-N
0 references
PubChem CID
10637614
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QPOFRFGIYSXYSK-NTSWFWBYSA-N
ChEBI ID
222619
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C9H17N3O6S/c1-5(10)8(14)12-4-11-7(13)3-6(9(15)16)19(2,17)18/h5-6H,3-4,10H2,1-2H3,(H,11,13)(H,12,14)(H,15,16)/t5-,6+/m0/s1
UniChem compound ID
33054284
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA028988
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QPOFRFGIYSXYSK-NTSWFWBYSA-N
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