CHEBI:67962 - Conoideocrellide D

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ChEBI Name Conoideocrellide D
ChEBI ID CHEBI:67962
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 C41H51N5O12
Net Charge 0
Average Mass 805.86990
Monoisotopic Mass 805.35342
InChI InChI=1S/C41H51N5O12/c1-25(23-47)17-18-58-31-15-11-29(12-16-31)20-33(41(56)57-3)45-39(54)34(24-48)46-38(53)32(19-28-9-13-30(49)14-10-28)44-36(51)22-42-37(52)26(2)43-40(55)35(50)21-27-7-5-4-6-8-27/h4-17,26,32-35,47-50H,18-24H2,1-3H3,(H,42,52)(H,43,55)(H,44,51)(H,45,54)(H,46,53)/b25-17+/t26-,32+,33+,34+,35-/m0/s1
InChIKey WVTCLNOGGTVDPI-AHWJTRECSA-N
SMILES COC(=O)[C@@H](Cc1ccc(OC\C=C(/C)CO)cc1)NC(=O)[C@@H](CO)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](O)Cc1ccccc1
Metabolite of Species Details
Conoideocrella tenuis (NCBI:txid1105321) Ethyl acetate extract of culture broth 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 D (CHEBI:67962) has role metabolite (CHEBI:25212)
Conoideocrellide D (CHEBI:67962) is a peptide (CHEBI:16670)
Citation Waiting for Citations Type Source
21473608 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:alpha-amino acid ester(CHEBI:46874); ISA:N-acyl-amino acid(CHEBI:51569); ISA:amino acid amide(CHEBI:22475); ISA:amphetamines(CHEBI:35338); ISA:amine(CHEBI:32952); ISA:aromatic ether(CHEBI:35618); ISA:aralkylamine(CHEBI:18000); ISA:fatty acid ester(CHEBI:35748); ISA:phenols(CHEBI:33853); ISA:fatty amide(CHEBI:29348); ISA:amino alcohol(CHEBI:22478); ISA:carboxylic ester(CHEBI:33308); ISA:carboxamide(CHEBI:37622); ISA:secondary alcohol(CHEBI:35681); ISA:polyol(CHEBI:26191); ISA:monocarboxylic acid(CHEBI:25384); ISA:carboxylic acid(CHEBI:33575); ISA:organonitrogen compound(CHEBI:35352); ISA:organic heterocyclic compound(CHEBI:24532); ISA:primary alcohol(CHEBI:15734); ISA:aromatic alcohol(CHEBI:33854); ISA:carbonyl compound(CHEBI:36586);