CHEBI:67317 - cocosamide B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name cocosamide B
ChEBI ID CHEBI:67317
Definition A natural product found in Lyngbya majuscula.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C42H55N5O7
Net Charge 0
Average Mass 741.91540
Monoisotopic Mass 741.410
InChI InChI=1S/C42H55N5O7/c1-8-9-12-23-34-42(4,5)41(53)44-36(28(2)3)40(52)46(7)33(26-30-20-15-11-16-21-30)39(51)47-24-17-22-31(47)38(50)45(6)32(25-29-18-13-10-14-19-29)37(49)43-27-35(48)54-34/h1,10-11,13-16,18-21,28,31-34,36H,9,12,17,22-27H2,2-7H3,(H,43,49)(H,44,53)/t31-,32-,33-,34-,36-/m0/s1
InChIKey WQLPTPGNWCVEOG-NRYNYGQJSA-N
SMILES CC(C)[C@@H]1NC(=O)C(C)(C)[C@H](CCCC#C)OC(=O)CNC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C1=O
Metabolite of Species Details
Lyngbya majuscula (NCBI:txid158786) Lipophilic extract afforded by extraction of freeze-dried material with EtOAc-MeOH (1:1) 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 cocosamide B (CHEBI:67317) has role metabolite (CHEBI:25212)
cocosamide B (CHEBI:67317) is a cyclodepsipeptide (CHEBI:35213)
Citation Waiting for Citations Type Source
21341718 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:alpha-amino acid ester(CHEBI:46874); ISA:keratan 6'-sulfate(CHEBI:18331); ISA:azamacrocycle(CHEBI:52898); ISA:aralkylamine(CHEBI:18000); ISA:benzenes(CHEBI:22712); ISA:carboxamide(CHEBI:37622); ISA:pyrrolidines(CHEBI:38260); ISA:tertiary amine(CHEBI:32876); ISA:carboxylic ester(CHEBI:33308); ISA:lactone(CHEBI:25000); ISA:carboxylic acid(CHEBI:33575); ISA:monocarboxylic acid(CHEBI:25384); ISA:ether(CHEBI:25698); ISA:carbonyl compound(CHEBI:36586);