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CHEBI:218527 - Capreomycin IA

ChEBI IDCHEBI:218527
ChEBI NameCapreomycin IA
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H44N14O8
Net Charge0
Average Mass668.717
Monoisotopic Mass668.34665
SMILESNCCC[C@@H](N)CC(=O)NC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](N)CNC(=O)[C@H]([C@H]2CCN=C(N)N2)NC(=O)/C(=C/NC(N)=O)NC1=O
InChIInChI=1S/C25H44N14O8/c26-4-1-2-11(27)6-17(41)32-8-14-20(43)35-15(9-34-25(30)47)21(44)39-18(13-3-5-31-24(29)38-13)23(46)33-7-12(28)19(42)37-16(10-40)22(45)36-14/h9,11-14,16,18,40H,1-8,10,26-28H2,(H,32,41)(H,33,46)(H,35,43)(H,36,45)(H,37,42)(H,39,44)(H3,29,31,38)(H3,30,34,47)/b15-9-/t11-,12+,13-,14+,16+,18+/m1/s1
InChIKeyJNIIDKODPGHQSS-CGLFUZANSA-N
Species of MetaboliteComponentSourceComments
Saccharothrix mutabilis subsp. capreolus (ncbitaxon:66854) - PubMed (61134)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Capreomycin IA (CHEBI:218527) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(3R)-3,6-diamino-N-[[(2S,5S,8Z,11S,15S)-15-amino-11-[(6R)-2-amino-1,4,5,6-tetrahydropyrimidin-6-yl]-8-[(carbamoylamino)methylidene]-2-(hydroxymethyl)-3,6,9,12,16-pentaoxo-1,4,7,10,13-pentazacyclohexadec-5-yl]methyl]hexanamide
Manual XrefsDatabases
78438679ChemSpider