EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:179575 - chondroitin sulfate E (GalNAc4,6diS-GlcA), precursor 3

ChEBI IDCHEBI:179575
ChEBI Namechondroitin sulfate E (GalNAc4,6diS-GlcA), precursor 3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H10ClN3
Net Charge0
Average Mass207.664
Monoisotopic Mass207.05632
SMILESCc1cc(N)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C10H10ClN3/c1-7-6-10(12)14(13-7)9-4-2-8(11)3-5-9/h2-6H,12H2,1H3
InChIKeyCLORQKXFDBKDCZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
chondroitin sulfate E (GalNAc4,6diS-GlcA), precursor 3 (CHEBI:179575) is a pyrazoles (CHEBI:26410)
chondroitin sulfate E (GalNAc4,6diS-GlcA), precursor 3 (CHEBI:179575) is a ring assembly (CHEBI:36820)
IUPAC Name 
2-(4-chlorophenyl)-5-methylpyrazol-3-amine
Manual XrefsDatabases
HMDB0062463HMDB
148908ChemSpider
Registry NumbersSources
CAS:40401-39-6ChemIDplus