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(Q77384705)
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Propionicin T1
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
1,023.480764888
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₄₃H₆₉N₁₃O₁₄S
0 references
canonical SMILES
CC(C)C(N)C(=O)N1CCCC1C(=O)NCC(=O)NCC(=O)NC(CS)C(=O)NC(C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(C(=O)NC(CCCNC(=N)N)C(=O)NC(C=O)CO)C(C)O)C(C)O
0 references
found in taxon
Propionibacterium thoenii
1 reference
stated in
Biochemical and genetic characterization of propionicin T1, a new bacteriocin from Propionibacterium thoenii
Identifiers
InChI
InChI=1S/C43H69N13O14S/c1-21(2)33(44)42(70)56-14-6-8-30(56)39(67)49-16-31(62)48-17-32(63)51-29(20-71)38(66)55-35(23(4)60)41(69)53-28(15-24-9-11-26(61)12-10-24)37(65)54-34(22(3)59)40(68)52-27(7-5-13-47-43(45)46)36(64)50-25(18-57)19-58/h9-12,18,21-23,25,27-30,33-35,58-61,71H,5-8,13-17,19-20,44H2,1-4H3,(H,48,62)(H,49,67)(H,50,64)(H,51,63)(H,52,68)(H,53,69)(H,54,65)(H,55,66)(H4,45,46,47)
0 references
InChIKey
NAVBNQZIHYIONI-UHFFFAOYSA-N
2 references
stated in
PubChem
PubChem CID
139585141
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
139585141
language of work or name
English
PubChem CID
139585141
2 references
stated in
PubChem
PubChem CID
139585141
language of work or name
English
matched by identifier from
InChIKey
InChIKey
NAVBNQZIHYIONI-UHFFFAOYSA-N
ChEBI ID
204231
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C43H69N13O14S/c1-21(2)33(44)42(70)56-14-6-8-30(56)39(67)49-16-31(62)48-17-32(63)51-29(20-71)38(66)55-35(23(4)60)41(69)53-28(15-24-9-11-26(61)12-10-24)37(65)54-34(22(3)59)40(68)52-27(7-5-13-47-43(45)46)36(64)50-25(18-57)19-58/h9-12,18,21-23,25,27-30,33-35,58-61,71H,5-8,13-17,19-20,44H2,1-4H3,(H,48,62)(H,49,67)(H,50,64)(H,51,63)(H,52,68)(H,53,69)(H,54,65)(H,55,66)(H4,45,46,47)
UniChem compound ID
170908530
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA007297
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NAVBNQZIHYIONI-UHFFFAOYSA-N
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