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(Q105341475)
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English
Nodulapeptin C
group of stereoisomers with the chemical formula C₄₄H₆₃N₇O₁₁S
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Statements
instance of
group of stereoisomers
0 references
subclass of
biogenic cyclopeptide
1 reference
inferred from
biogenic cyclopeptide
mass
897.430626836
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₄₄H₆₃N₇O₁₁S
0 references
canonical SMILES
CCC(C)C(NC(=O)NC1CCCCNC(=O)C(COC(C)=O)NC(=O)C(CCc2ccc(O)cc2)N(C)C(=O)C(CCc2ccccc2)NC(=O)C(CCSC)NC1=O)C(=O)O
0 references
found in taxon
Nodularia spumigena
2 references
stated in
Two alternative starter modules for the non-ribosomal biosynthesis of specific anabaenopeptin variants in Anabaena (Cyanobacteria).
stated in
Chemical and Genetic Diversity of Nodularia spumigena from the Baltic Sea
Identifiers
InChI
InChI=1S/C44H63N7O11S/c1-6-27(2)37(43(59)60)50-44(61)49-32-14-10-11-24-45-38(54)35(26-62-28(3)52)48-41(57)36(22-18-30-15-19-31(53)20-16-30)51(4)42(58)34(21-17-29-12-8-7-9-13-29)47-40(56)33(23-25-63-5)46-39(32)55/h7-9,12-13,15-16,19-20,27,32-37,53H,6,10-11,14,17-18,21-26H2,1-5H3,(H,45,54)(H,46,55)(H,47,56)(H,48,57)(H,59,60)(H2,49,50,61)
0 references
InChIKey
XTDLZZLFKOTTLJ-UHFFFAOYSA-N
0 references
PubChem CID
146684876
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
XTDLZZLFKOTTLJ-UHFFFAOYSA-N
ChEBI ID
221850
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C44H63N7O11S/c1-6-27(2)37(43(59)60)50-44(61)49-32-14-10-11-24-45-38(54)35(26-62-28(3)52)48-41(57)36(22-18-30-15-19-31(53)20-16-30)51(4)42(58)34(21-17-29-12-8-7-9-13-29)47-40(56)33(23-25-63-5)46-39(32)55/h7-9,12-13,15-16,19-20,27,32-37,53H,6,10-11,14,17-18,21-26H2,1-5H3,(H,45,54)(H,46,55)(H,47,56)(H,48,57)(H,59,60)(H2,49,50,61)
UniChem compound ID
178088230
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID901319530
1 reference
matched by identifier from
InChIKey
InChIKey
XTDLZZLFKOTTLJ-UHFFFAOYSA-N
Natural Product Atlas ID
NPA028859
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XTDLZZLFKOTTLJ-UHFFFAOYSA-N
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