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CHEBI:85713 - 3-methylindolyl precursor of nosiheptide

ChEBI IDCHEBI:85713
ChEBI Name3-methylindolyl precursor of nosiheptide
Stars
DefinitionA heterodetic cyclic peptide that is an intermediate in the biosynthesis of nosiheptide by Streptomyces actuosus
Last Modified6 July 2016
Submittergemma
DownloadsMolfile
FormulaC53H45N13O12S6
Net Charge0
Average Mass1248.424
Monoisotopic Mass1247.16349
SMILESC=C(NC(=O)C(=C)NC(=O)c1csc(-c2ccc3c(n2)-c2csc(n2)[C@H](CSC(=O)c2nc4ccccc4c2C)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/C53H45N13O12S6/c1-6-27-48-54-15-36(84-48)45(74)60-30(13-14-37(68)69)50-65-33(19-82-50)43(72)61-35(20-83-53(78)38-21(2)25-9-7-8-10-28(25)57-38)51-62-31(16-80-51)40-26(47-63-34(17-79-47)44(73)66-39(24(5)67)46(75)59-27)11-12-29(58-40)49-64-32(18-81-49)42(71)55-22(3)41(70)56-23(4)52(76)77/h6-12,15-19,24,30,35,39,57,67H,3-4,13-14,20H2,1-2,5H3,(H,55,71)(H,56,70)(H,59,75)(H,60,74)(H,61,72)(H,66,73)(H,68,69)(H,76,77)/b27-6-/t24-,30+,35+,39+/m1/s1
InChIKeyMMGRHNBDIMLRQF-AKJSKULZSA-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-methylindolyl precursor of nosiheptide (CHEBI:85713) has role bacterial metabolite (CHEBI:76969)
3-methylindolyl precursor of nosiheptide (CHEBI:85713) is a azamacrocycle (CHEBI:52898)
3-methylindolyl precursor of nosiheptide (CHEBI:85713) is a heterodetic cyclic peptide (CHEBI:24533)
Citations