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CHEBI:193302 - Cabbage identification factor 2

ChEBI IDCHEBI:193302
ChEBI NameCabbage identification factor 2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H12N4O3S
Net Charge0
Average Mass328.353
Monoisotopic Mass328.06301
SMILESO=C(O)CNC(=O)C1CSc2ncc3c4ccccc4nc-3n21
InChIInChI=1S/C15H12N4O3S/c20-12(21)6-16-14(22)11-7-23-15-17-5-9-8-3-1-2-4-10(8)18-13(9)19(11)15/h1-5,11H,6-7H2,(H,16,22)(H,20,21)
InChIKeyZPXJZOIRMZYIAP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Cabbage identification factor 2 (CHEBI:193302) is a peptide (CHEBI:16670)
IUPAC Name 
2-(5-thia-2,7,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),6,8,10,12,14-hexaene-3-carbonylamino)acetic acid
Manual XrefsDatabases
35013643ChemSpider
HMDB0033622HMDB