CHEBI:66512 - somocystinamide A

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ChEBI Name somocystinamide A
ChEBI ID CHEBI:66512
Definition An organic disulfide that results from the dimerization of (10E,12R)-12-(acetylamino)-N-methyl-N-[(1E)-penta-1,4-dien-1-yl]-13-sulfanyltridec-10-enamide. Isolated from Lyngbya majuscula and Schizothrix, it exhibits antineoplastic acitivity.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ZINC000059211766
Download Molfile XML SDF
Formula C42H70N4O4S2
Net Charge 0
Average Mass 759.16000
Monoisotopic Mass 758.48385
InChI InChI=1S/C42H70N4O4S2/c1-7-9-27-33-45(5)41(49)31-25-21-17-13-11-15-19-23-29-39(43-37(3)47)35-51-52-36-40(44-38(4)48)30-24-20-16-12-14-18-22-26-32-42(50)46(6)34-28-10-8-2/h7-8,23-24,27-30,33-34,39-40H,1-2,9-22,25-26,31-32,35-36H2,3-6H3,(H,43,47)(H,44,48)/b29-23+,30-24+,33-27+,34-28+/t39-,40-/m1/s1
InChIKey UJORQZOJHPJQER-OVAGAFHPSA-N
SMILES CN(\C=C\CC=C)C(=O)CCCCCCCC\C=C\[C@H](CSSC[C@H](NC(C)=O)\C=C\CCCCCCCCC(=O)N(C)\C=C\CC=C)NC(C)=O
Metabolite of Species Details
Lyngbya majuscula (NCBI:txid158786) Mixed assemblage of marine cyanobacteria with Schizothrix sp See: PubMed
Schizothrix (NCBI:txid240294) Mixed assemblage of marine cyanobacteria with Lyngbya majuscula See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing somocystinamide A (CHEBI:66512) has role antineoplastic agent (CHEBI:35610)
somocystinamide A (CHEBI:66512) has role metabolite (CHEBI:25212)
somocystinamide A (CHEBI:66512) is a acetamides (CHEBI:22160)
somocystinamide A (CHEBI:66512) is a organic disulfide (CHEBI:35489)
somocystinamide A (CHEBI:66512) is a secondary carboxamide (CHEBI:140325)
somocystinamide A (CHEBI:66512) is a tertiary carboxamide (CHEBI:140326)
IUPAC Name
(10E,12R,10'E,12'R)-13,13'-disulfanediylbis{12-(acetylamino)-N-methyl-N-[(1E)-penta-1,4-dien-1-yl]tridec-10-enamide}
Manual Xrefs Databases
US2010266675 Patent
WO2008144747 Patent
View more database links
Registry Number Type Source
9110233 Reaxys Registry Number Reaxys
Citations
Last Modified
07 March 2018