CHEBI:65582 - Carmabin A

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ChEBI Name Carmabin A
ChEBI ID CHEBI:65582
Definition A natural product found in Lyngbya majuscula and Lyngbya majuscula.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C40H57N5O6
Net Charge 0
Average Mass 703.91050
Monoisotopic Mass 703.43088
InChI InChI=1S/C40H57N5O6/c1-10-11-12-14-17-27(2)24-28(3)38(48)45(8)35(26-31-18-15-13-16-19-31)37(47)42-29(4)39(49)43(6)30(5)40(50)44(7)34(36(41)46)25-32-20-22-33(51-9)23-21-32/h1,13,15-16,18-23,27-30,34-35H,11-12,14,17,24-26H2,2-9H3,(H2,41,46)(H,42,47)/t27?,28?,29-,30-,34-,35-/m0/s1
InChIKey BRWIYXLUWTZWGU-PBQPNXEGSA-N
SMILES COc1ccc(C[C@H](N(C)C(=O)[C@H](C)N(C)C(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)C(C)CC(C)CCCCC#C)C(N)=O)cc1
Metabolite of Species Details
Lyngbya majuscula (NCBI:txid158786) Panamanian strain of the marine cyanobacterium See: PubMed
Lyngbya majuscula (NCBI:txid158786) Caribbean variety of Marine cyanobacterium 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 Carmabin A (CHEBI:65582) has role metabolite (CHEBI:25212)
Carmabin A (CHEBI:65582) is a peptide (CHEBI:16670)
Synonym Source
N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-N,2,4-trimethyldec-9-ynamide ChEBI
Citations Waiting for Citations Types Sources
17441769 PubMed citation Europe PMC
9584405 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:N-acyl-amino acid(CHEBI:51569); ISA:amino acid amide(CHEBI:22475); ISA:amine(CHEBI:32952); ISA:amphetamines(CHEBI:35338); ISA:methoxybenzene(CHEBI:51683); ISA:aromatic ether(CHEBI:35618); ISA:aralkylamine(CHEBI:18000); ISA:fatty amide(CHEBI:29348); ISA:carboxamide(CHEBI:37622); ISA:tertiary amine(CHEBI:32876); ISA:organonitrogen compound(CHEBI:35352); ISA:carboxylic acid(CHEBI:33575); ISA:organic heterocyclic compound(CHEBI:24532); ISA:carbonyl compound(CHEBI:36586);