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CHEBI:218654 - Capreomycin IB

ChEBI IDCHEBI:218654
ChEBI NameCapreomycin IB
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H44N14O7
Net Charge0
Average Mass652.718
Monoisotopic Mass652.35174
SMILESC[C@@H]1NC(=O)[C@@H](N)CNC(=O)[C@H]([C@H]2CCN=C(N)N2)NC(=O)/C(=C/NC(N)=O)NC(=O)[C@H](CNC(=O)C[C@H](N)CCCN)NC1=O
InChIInChI=1S/C25H44N14O7/c1-11-19(41)36-15(9-32-17(40)7-12(27)3-2-5-26)21(43)37-16(10-34-25(30)46)22(44)39-18(14-4-6-31-24(29)38-14)23(45)33-8-13(28)20(42)35-11/h10-15,18H,2-9,26-28H2,1H3,(H,32,40)(H,33,45)(H,35,42)(H,36,41)(H,37,43)(H,39,44)(H3,29,31,38)(H3,30,34,46)/b16-10-/t11-,12+,13-,14+,15-,18-/m0/s1
InChIKeyFRXNXDHFQYZYNA-XYHSJSFUSA-N
Species of MetaboliteComponentSourceComments
Saccharothrix mutabilis subsp. capreolus (ncbitaxon:66854) - PubMed (4325287)
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 IB (CHEBI:218654) 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-methyl-3,6,9,12,16-pentaoxo-1,4,7,10,13-pentazacyclohexadec-5-yl]methyl]hexanamide
Manual XrefsDatabases
78443438ChemSpider