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CHEBI:222766 - 6-deoxy-alpha-L-talopyranose 1-(6-chloro-1H-indole-3-carboxylate)

ChEBI IDCHEBI:222766
ChEBI Name6-deoxy-alpha-L-talopyranose 1-(6-chloro-1H-indole-3-carboxylate)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H16ClNO6
Net Charge0
Average Mass341.747
Monoisotopic Mass341.06661
SMILESC[C@@H]1O[C@@H](OC(=O)c2cnc3cc(Cl)ccc23)[C@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C15H16ClNO6/c1-6-11(18)12(19)13(20)15(22-6)23-14(21)9-5-17-10-4-7(16)2-3-8(9)10/h2-6,11-13,15,17-20H,1H3/t6-,11+,12+,13+,15-/m0/s1
InChIKeyBBKPPKNOPCGYQN-KPXRPKJJSA-N
Species of MetaboliteComponentSourceComments
Kitasatosporaspecies MG372-hF19 (ncbitaxon:2605609) - PubMed (31735911)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
6-deoxy-alpha-L-talopyranose 1-(6-chloro-1H-indole-3-carboxylate) (CHEBI:222766) is a indolyl carboxylic acid (CHEBI:46867)
IUPAC Name 
[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl] 6-chloro-1H-indole-3-carboxylate