CHEBI:68857 - Nordidemnin B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Nordidemnin B
ChEBI ID CHEBI:68857
Definition A natural product found in Tistrella mobilis.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C56H87N7O15
Net Charge 0
Average Mass 1098.32790
Monoisotopic Mass 1097.62602
InChI InChI=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
InChIKey CKVQLVKUIHIXIC-WSBLOWKLSA-N
SMILES COc1ccc(C[C@@H]2N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)C(=O)[C@@H](OC(=O)C[C@H](O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](C)O)[C@@H](C)OC2=O)C(C)C)C(C)C)cc1
Metabolite of Species Details
Tistrella mobilis (NCBI:txid171437) 1. An isolate of alpha-probacterium2. Methanolic extract of bacteria of strain YIT 12409 See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Nordidemnin B (CHEBI:68857) has role metabolite (CHEBI:25212)
Nordidemnin B (CHEBI:68857) is a didemnin (CHEBI:90209)
Synonyms Sources
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
Nordidemnin ChEBI
Manual Xref Database
0117710039 ChemIDplus accession
View more database links
Citation Waiting for Citations Type Source
22035372 PubMed citation Europe PMC
Last Modified
04 November 2015
General Comment
2014-10-17 Suggested Classification: ISA:macrolide(CHEBI:25106); ISA:lactam(CHEBI:24995); ISA:alpha-amino acid ester(CHEBI:46874); ISA:N-acyl-amino acid(CHEBI:51569); ISA:keratan 6'-sulfate(CHEBI:18331); ISA:azamacrocycle(CHEBI:52898); ISA:amino acid amide(CHEBI:22475); ISA:N-acylpyrrolidine(CHEBI:46766); ISA:methoxybenzene(CHEBI:51683); ISA:pyrrolidinecarboxamide(CHEBI:46770); ISA:aralkylamine(CHEBI:18000); ISA:ketone(CHEBI:17087); ISA:carboxylic ester(CHEBI:33308); ISA:aromatic ether(CHEBI:35618); ISA:fatty amide(CHEBI:29348); ISA:carbonyl compound(CHEBI:36586); ISA:carboxamide(CHEBI:37622); ISA:lactone(CHEBI:25000); ISA:tertiary amine(CHEBI:32876); ISA:secondary alcohol(CHEBI:35681); ISA:cyclic ketone(CHEBI:3992); ISA:monocarboxylic acid(CHEBI:25384); ISA:organonitrogen compound(CHEBI:35352); ISA:carboxylic acid(CHEBI:33575);