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CHEBI:85714 - 3,4-dimethylindolyl precursor of nosiheptide

ChEBI IDCHEBI:85714
ChEBI Name3,4-dimethylindolyl precursor of nosiheptide
Stars
DefinitionA heterodetic cyclic peptide that is an intermediate in the biosynthesis of nosiheptide by Streptomyces actuosus
Last Modified8 June 2015
Submittergemma
DownloadsMolfile
FormulaC54H47N13O12S6
Net Charge0
Average Mass1262.451
Monoisotopic Mass1261.17914
SMILESC=C(NC(=O)C(=C)NC(=O)c1csc(-c2ccc3c(n2)-c2csc(n2)[C@H](CSC(=O)c2nc4cccc(C)c4c2C)NC(=O)c2csc(n2)[C@H](CCC(=O)O)NC(=O)c2cnc(s2)/C(=C/C)NC(=O)[C@H]([C@@H](C)O)NC(=O)c2csc-3n2)n1)C(=O)O
InChIInChI=1S/C54H47N13O12S6/c1-7-27-49-55-15-36(85-49)46(75)61-30(13-14-37(69)70)51-66-33(19-83-51)44(73)62-35(20-84-54(79)39-22(3)38-21(2)9-8-10-28(38)58-39)52-63-31(16-81-52)41-26(48-64-34(17-80-48)45(74)67-40(25(6)68)47(76)60-27)11-12-29(59-41)50-65-32(18-82-50)43(72)56-23(4)42(71)57-24(5)53(77)78/h7-12,15-19,25,30,35,40,58,68H,4-5,13-14,20H2,1-3,6H3,(H,56,72)(H,57,71)(H,60,76)(H,61,75)(H,62,73)(H,67,74)(H,69,70)(H,77,78)/b27-7-/t25-,30+,35+,40+/m1/s1
InChIKeyVXILBHDITLWEOK-JTESZQDOSA-N
Species of MetaboliteComponentSourceComments
Streptomyces actuosus (ncbitaxon:1885) - PubMed (19678698) Strain: ATCC 25421
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
3,4-dimethylindolyl precursor of nosiheptide (CHEBI:85714) has role bacterial metabolite (CHEBI:76969)
3,4-dimethylindolyl precursor of nosiheptide (CHEBI:85714) is a azamacrocycle (CHEBI:52898)
3,4-dimethylindolyl precursor of nosiheptide (CHEBI:85714) is a heterodetic cyclic peptide (CHEBI:24533)
3,4-dimethylindolyl precursor of nosiheptide (CHEBI:85714) is a ring assembly (CHEBI:36820)
Citations