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(Q77369089)
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English
Pediocin A
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
1,044.469865856
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₄₆H₆₈N₁₂O₁₄S
0 references
canonical SMILES
CC(C)C(NC(=O)CNC(=O)C(CC(N)=O)NC(=O)CNC(=O)C(Cc1ccc(O)cc1)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(N)CCCCN)C(=O)NC(C(=O)NC(CS)C(=O)NCC=O)C(C)O
0 references
found in taxon
Pediococcus pentosaceus
2 references
stated in
Further characterization of bacteriocins Plantaricin BN, bavaricin MN and pediocin A
stated in
Association of a 13.6-Megadalton Plasmid in Pediococcus pentosaceus with Bacteriocin Activity.
Identifiers
InChI
InChI=1S/C46H68N12O14S/c1-24(2)38(45(71)58-39(25(3)60)46(72)56-34(23-73)43(69)50-16-17-59)57-37(65)22-52-42(68)33(20-35(49)63)53-36(64)21-51-41(67)31(18-26-7-11-28(61)12-8-26)55-44(70)32(19-27-9-13-29(62)14-10-27)54-40(66)30(48)6-4-5-15-47/h7-14,17,24-25,30-34,38-39,60-62,73H,4-6,15-16,18-23,47-48H2,1-3H3,(H2,49,63)(H,50,69)(H,51,67)(H,52,68)(H,53,64)(H,54,66)(H,55,70)(H,56,72)(H,57,65)(H,58,71)
0 references
InChIKey
RHSNSGBFUQLGRZ-UHFFFAOYSA-N
2 references
stated in
PubChem
PubChem CID
139584442
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
139584442
language of work or name
English
PubChem CID
139584442
2 references
stated in
PubChem
PubChem CID
139584442
language of work or name
English
matched by identifier from
InChIKey
InChIKey
RHSNSGBFUQLGRZ-UHFFFAOYSA-N
ChEBI ID
202090
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C46H68N12O14S/c1-24(2)38(45(71)58-39(25(3)60)46(72)56-34(23-73)43(69)50-16-17-59)57-37(65)22-52-42(68)33(20-35(49)63)53-36(64)21-51-41(67)31(18-26-7-11-28(61)12-8-26)55-44(70)32(19-27-9-13-29(62)14-10-27)54-40(66)30(48)6-4-5-15-47/h7-14,17,24-25,30-34,38-39,60-62,73H,4-6,15-16,18-23,47-48H2,1-3H3,(H2,49,63)(H,50,69)(H,51,67)(H,52,68)(H,53,64)(H,54,66)(H,55,70)(H,56,72)(H,57,65)(H,58,71)
UniChem compound ID
170907912
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA004837
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RHSNSGBFUQLGRZ-UHFFFAOYSA-N
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