EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:79391 - (−)-chuangxinmycin

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:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in 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).
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of 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
chuanghsinmycinChemIDplus
cis-(−)-3,5-dihydro-3-methyl-2H-thiopyrano(4,3,2-cd)indole-2-carboxylic acidChemIDplus
(−)-(4S,5R)-chuangxinmycinChEBI
(−)-chuangxinmycinChEBI
(4S,5R)-(−)-chuangxinmycinChEBI
chuangxinmycinChemIDplus
Registry NumbersSources
Reaxys:7796054Reaxys
CAS:63339-68-4ChemIDplus
Citations