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 ChemicalBook:CB9767199, eMolecules:6856863, Selleckchem:genipin, ZINC000001681500
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
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);