EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:67960 - Conoideocrellide B

ChEBI IDCHEBI:67960
ChEBI NameConoideocrellide B
Stars
DefinitionA natural product found in Conoideocrella tenuis.
Last Modified22 September 2014
DownloadsMolfile
FormulaC40H49N5O11
Net Charge0
Average Mass775.856
Monoisotopic Mass775.34286
SMILESCC(C)=CCOc1ccc(C[C@@H](NC(=O)[C@@H](CO)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](O)Cc2ccccc2)C(=O)O)cc1
InChIInChI=1S/C40H49N5O11/c1-24(2)17-18-56-30-15-11-28(12-16-30)20-32(40(54)55)44-38(52)33(23-46)45-37(51)31(19-27-9-13-29(47)14-10-27)43-35(49)22-41-36(50)25(3)42-39(53)34(48)21-26-7-5-4-6-8-26/h4-17,25,31-34,46-48H,18-23H2,1-3H3,(H,41,50)(H,42,53)(H,43,49)(H,44,52)(H,45,51)(H,54,55)/t25-,31+,32+,33+,34-/m0/s1
InChIKeyXUGFNOLBANLPEQ-JNVOQPTMSA-N
Species of MetaboliteComponentSourceComments
Conoideocrella tenuis (ncbitaxon:1105321) mycelium (BTO:0001436) PubMed (21473608) Filtrate of mycelia macerated with methanol Strain: BCC 18627
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)
Conoideocrellide B (CHEBI:67960) has role metabolite (CHEBI:25212)
Conoideocrellide B (CHEBI:67960) is a peptide (CHEBI:16670)
Citations