CHEBI:67959 - Conoideocrellide A

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ChEBI Name Conoideocrellide A
ChEBI ID CHEBI:67959
Definition A natural product found in Conoideocrella tenuis.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C40H47N5O10
Net Charge 0
Average Mass 757.82870
Monoisotopic Mass 757.33229
InChI InChI=1S/C40H47N5O10/c1-24(2)17-18-54-30-15-11-28(12-16-30)20-32-40(53)55-34(21-26-7-5-4-6-8-26)39(52)42-25(3)36(49)41-22-35(48)43-31(19-27-9-13-29(47)14-10-27)37(50)45-33(23-46)38(51)44-32/h4-17,25,31-34,46-47H,18-23H2,1-3H3,(H,41,49)(H,42,52)(H,43,48)(H,44,51)(H,45,50)/t25-,31+,32+,33+,34-/m0/s1
InChIKey HRBIYRHJGCNAOT-JNVOQPTMSA-N
SMILES C[C@@H]1NC(=O)[C@H](Cc2ccccc2)OC(=O)[C@@H](Cc2ccc(OCC=C(C)C)cc2)NC(=O)[C@@H](CO)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC1=O
Metabolite of Species Details
Conoideocrella tenuis (NCBI:txid1105321) Found in mycelium (BTO:0001436). Filtrate of mycelia macerated with methanol of strain BCC 18627 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 Conoideocrellide A (CHEBI:67959) has role metabolite (CHEBI:25212)
Conoideocrellide A (CHEBI:67959) is a cyclodepsipeptide (CHEBI:35213)
Citation Waiting for Citations Type Source
21473608 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:macrolide(CHEBI:25106); ISA:lactam(CHEBI:24995); ISA:keratan 6'-sulfate(CHEBI:18331); ISA:azamacrocycle(CHEBI:52898); ISA:alpha-amino acid ester(CHEBI:46874); ISA:aromatic ether(CHEBI:35618); ISA:aralkylamine(CHEBI:18000); ISA:phenols(CHEBI:33853); ISA:amino alcohol(CHEBI:22478); ISA:lactone(CHEBI:25000); ISA:polyol(CHEBI:26191); ISA:carboxylic ester(CHEBI:33308); ISA:carboxamide(CHEBI:37622); ISA:carboxylic acid(CHEBI:33575); ISA:monocarboxylic acid(CHEBI:25384); ISA:carbonyl compound(CHEBI:36586); ISA:primary alcohol(CHEBI:15734); ISA:aromatic alcohol(CHEBI:33854);