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(Q104203223)
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Nodulapeptin 883b
group of stereoisomers with the chemical formula C₄₇H₆₁N₇O₁₀
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Statements
instance of
group of stereoisomers
0 references
subclass of
biogenic cyclopeptide
1 reference
inferred from
biogenic cyclopeptide
mass
883.447991152
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₄₇H₆₁N₇O₁₀
0 references
canonical SMILES
CC(=O)OCC1NC(=O)C(CCc2ccccc2)N(C)C(=O)C(CCc2ccccc2)NC(=O)C(C(C)C)NC(=O)C(NC(=O)NC(Cc2ccccc2)C(=O)O)CCCCNC1=O
0 references
found in taxon
Nodularia spumigena
2 references
stated in
Chemical and Genetic Diversity of Nodularia spumigena from the Baltic Sea
stated in
Diversity of peptides produced by Nodularia spumigena from various geographical regions.
Identifiers
InChI
InChI=1S/C47H61N7O10/c1-30(2)40-44(59)49-36(25-23-32-16-8-5-9-17-32)45(60)54(4)39(26-24-33-18-10-6-11-19-33)43(58)50-38(29-64-31(3)55)41(56)48-27-15-14-22-35(42(57)53-40)51-47(63)52-37(46(61)62)28-34-20-12-7-13-21-34/h5-13,16-21,30,35-40H,14-15,22-29H2,1-4H3,(H,48,56)(H,49,59)(H,50,58)(H,53,57)(H,61,62)(H2,51,52,63)
0 references
InChIKey
BTMJOARYLYFBPG-UHFFFAOYSA-N
0 references
PubChem CID
146684892
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
BTMJOARYLYFBPG-UHFFFAOYSA-N
ChEBI ID
221961
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C47H61N7O10/c1-30(2)40-44(59)49-36(25-23-32-16-8-5-9-17-32)45(60)54(4)39(26-24-33-18-10-6-11-19-33)43(58)50-38(29-64-31(3)55)41(56)48-27-15-14-22-35(42(57)53-40)51-47(63)52-37(46(61)62)28-34-20-12-7-13-21-34/h5-13,16-21,30,35-40H,14-15,22-29H2,1-4H3,(H,48,56)(H,49,59)(H,50,58)(H,53,57)(H,61,62)(H2,51,52,63)
UniChem compound ID
178088246
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID401046782
1 reference
matched by identifier from
InChIKey
InChIKey
BTMJOARYLYFBPG-UHFFFAOYSA-N
Natural Product Atlas ID
NPA028877
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BTMJOARYLYFBPG-UHFFFAOYSA-N
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