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CHEBI:79391 - (−)-chuangxinmycin

Default Structure
ChEBI IDCHEBI:79391
ChEBI Name(−)-chuangxinmycin
Stars
ASCII Name(-)-chuangxinmycin
DefinitionA thiinoindole that is 3,5-dihydro-2H-thiino[4,3,2-cd]indole which is substituted at positions 2 and 3 by carboxy and methyl groups, respectively (the 2R,3S diastereoisomer).
Last Modified17 August 2023
SubmitterGareth Owen
DownloadsMolfile
FormulaC12H11NO2S
Net Charge0
Average Mass233.292
Monoisotopic Mass233.05105
SMILESC[C@H]1c2cnc3cccc(c23)S[C@H]1C(=O)O
InChIInChI=1S/C12H11NO2S/c1-6-7-5-13-8-3-2-4-9(10(7)8)16-11(6)12(14)15/h2-6,11,13H,1H3,(H,14,15)/t6-,11+/m0/s1
InChIKeyDKHFLDXCKWDVMF-UPONEAKYSA-N
Species of MetaboliteComponentSourceComments
Actinoplanes tsinanensis (ncbitaxon:2039464) - PubMed (327539)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
EC 6.1.1.2 (tryptophan--tRNA ligase) inhibitor  An EC 6.1.1.* (ligases forming aminoacyl tRNA and related compounds) inhibitor that interferes with the action of any tryptophan—tRNA ligase (EC 6.1.1.2).
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
(−)-chuangxinmycin (CHEBI:79391) has role antibacterial agent (CHEBI:33282)
(−)-chuangxinmycin (CHEBI:79391) has role antimicrobial agent (CHEBI:33281)
(−)-chuangxinmycin (CHEBI:79391) has role bacterial metabolite (CHEBI:76969)
(−)-chuangxinmycin (CHEBI:79391) has role EC 6.1.1.2 (tryptophan—tRNA ligase) inhibitor (CHEBI:79392)
(−)-chuangxinmycin (CHEBI:79391) is a indole alkaloid (CHEBI:38958)
(−)-chuangxinmycin (CHEBI:79391) is a monocarboxylic acid (CHEBI:25384)
(−)-chuangxinmycin (CHEBI:79391) is a thiinoindole (CHEBI:79393)
IUPAC Name 
(2R,3S)-3-methyl-3,5-dihydro-2H-thiino[4,3,2-cd]indole-2-carboxylic acid
Synonyms  Source
(−)-(4S,5R)-chuangxinmycinChEBI
(4S,5R)-(−)-chuangxinmycinChEBI
chuanghsinmycinChemIDplus
(−)-chuangxinmycinChEBI
chuangxinmycinChemIDplus
cis-(−)-3,5-dihydro-3-methyl-2H-thiopyrano(4,3,2-cd)indole-2-carboxylic acidChemIDplus
Registry NumbersSources
Reaxys:7796054Reaxys
CAS:63339-68-4ChemIDplus
Citations