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CHEBI:31740 - Kad 1229

ChEBI IDCHEBI:31740
ChEBI NameKad 1229
Stars
Last Modified28 July 2014
DownloadsMolfile
Formula2C19H24NO3.Ca
Net Charge0
Average Mass668.888
Monoisotopic Mass668.31383
SMILES[Ca+2].[H][C@@]12CCCC[C@]1([H])CN(C(=O)C[C@H](Cc1ccccc1)C(=O)[O-])C2.[H][C@@]12CCCC[C@]1([H])CN(C(=O)C[C@H](Cc1ccccc1)C(=O)[O-])C2
InChIInChI=1S/2C19H25NO3.Ca/c2*21-18(20-12-15-8-4-5-9-16(15)13-20)11-17(19(22)23)10-14-6-2-1-3-7-14;/h2*1-3,6-7,15-17H,4-5,8-13H2,(H,22,23);/q;;+2/p-2/t2*15-,16+,17-;/m00./s1
InChIKeyPMRVFZXOCRHXFE-FMEJWYFOSA-L
ChEBI Ontology
Outgoing Relation(s)
Kad 1229 (CHEBI:31740) is a polymer (CHEBI:60027)
Synonyms  Source
Kad 1229KEGG COMPOUND
Mitiglinide calciumKEGG COMPOUND
Manual XrefsDatabases
C13326KEGG COMPOUND
Registry NumbersSources
CAS:145525-41-3KEGG COMPOUND