CHEBI:65509 - bistratamide J

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ChEBI Name bistratamide J
ChEBI ID CHEBI:65509
Definition A homodetic cyclic peptide that consists of L-valine and L-threonine as the amino acid residues. It is isolated from Lissoclinum bistratum and exhibits antitumour activity against the human colon tumour cell line.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C25H36N6O5S2
Net Charge 0
Average Mass 564.72100
Monoisotopic Mass 564.21886
InChI InChI=1S/C25H36N6O5S2/c1-10(2)16-22(35)31-19(13(7)32)23(36)30-18(12(5)6)25-27-15(9-38-25)21(34)29-17(11(3)4)24-26-14(8-37-24)20(33)28-16/h8-13,16-19,32H,1-7H3,(H,28,33)(H,29,34)(H,30,36)(H,31,35)/t13-,16+,17+,18+,19+/m1/s1
InChIKey QYWGBWCDPYJCGC-RUZYHRDJSA-N
SMILES [H][C@]1(NC(=O)[C@@H](NC(=O)c2csc(n2)[C@@H](NC(=O)c2csc(n2)[C@@H](NC1=O)C(C)C)C(C)C)C(C)C)[C@@H](C)O
Metabolite of Species Details
Lissoclinum bistratum (NCBI:txid322849) 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.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
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ChEBI Ontology
Outgoing bistratamide J (CHEBI:65509) has role antineoplastic agent (CHEBI:35610)
bistratamide J (CHEBI:65509) has role metabolite (CHEBI:25212)
bistratamide J (CHEBI:65509) is a homodetic cyclic peptide (CHEBI:24613)
bistratamide J (CHEBI:65509) is a macrocycle (CHEBI:51026)
IUPAC Name
(4S,11S,14S,17S)-14-[(1R)-1-hydroxyethyl]-4,11,17-tri(propan-2-yl)-6,19-dithia-3,10,13,16,21,22-hexaazatricyclo[16.2.1.15,8]docosa-1(20),5(22),7,18(21)-tetraene-2,9,12,15-tetrone
Manual Xref Database
9127119 ChemSpider
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Registry Number Type Source
9455467 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
12608858 PubMed citation Europe PMC
Last Modified
26 November 2012