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CHEBI:68857 - Nordidemnin B

ChEBI IDCHEBI:68857
ChEBI NameNordidemnin B
Stars
DefinitionA natural product found in Tistrella mobilis .
Last Modified4 November 2015
DownloadsMolfile
FormulaC56H87N7O15
Net Charge0
Average Mass1098.346
Monoisotopic Mass1097.62602
SMILESCOc1ccc(C[C@H]2C(=O)O[C@H](C)[C@H](NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](C)O)C(=O)N[C@H](C(C)C)[C@@H](O)CC(=O)O[C@@H](C(C)C)C(=O)[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2C)cc1
InChIInChI=1S/C56H87N7O15/c1-29(2)25-38-53(72)63-24-16-18-40(63)55(74)61(13)42(27-36-19-21-37(76-14)22-20-36)56(75)77-35(11)46(59-50(69)41(26-30(3)4)60(12)54(73)39-17-15-23-62(39)52(71)34(10)64)51(70)58-45(31(5)6)43(65)28-44(66)78-48(32(7)8)47(67)33(9)49(68)57-38/h19-22,29-35,38-43,45-46,48,64-65H,15-18,23-28H2,1-14H3,(H,57,68)(H,58,70)(H,59,69)/t33-,34-,35+,38-,39-,40-,41+,42-,43-,45+,46-,48-/m0/s1
InChIKeyCKVQLVKUIHIXIC-WSBLOWKLSA-N
Species of MetaboliteComponentSourceComments
Tistrella mobilis (ncbitaxon:171437) - PubMed (22035372) 1. An isolate of alpha-probacterium2. Methanolic extract of bacteria Strain: YIT 12409
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Nordidemnin B (CHEBI:68857) has role metabolite (CHEBI:25212)
Nordidemnin B (CHEBI:68857) is a didemnin (CHEBI:90209)
Synonyms  Source
Didemnin A, 1-(N-(1-(2-hydroxy-1-oxopropyl)-L-prolyl)-N-methyl-D-leucine)-3-((3S,4R)-3-hydroxy-5-methyl-4-aminohexanoic acid)-ChEBI
NordidemninChEBI
Manual XrefsDatabases
0117710039ChemIDplus
Citations