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CHEBI:218541 - Capreomycin IIB

ChEBI IDCHEBI:218541
ChEBI NameCapreomycin IIB
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H32N12O6
Net Charge0
Average Mass524.543
Monoisotopic Mass524.25678
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](CN)NC1=O
InChIInChI=1S/C19H32N12O6/c1-7-13(32)28-10(4-20)15(34)29-11(6-26-19(23)37)16(35)31-12(9-2-3-24-18(22)30-9)17(36)25-5-8(21)14(33)27-7/h6-10,12H,2-5,20-21H2,1H3,(H,25,36)(H,27,33)(H,28,32)(H,29,34)(H,31,35)(H3,22,24,30)(H3,23,26,37)/b11-6-/t7-,8-,9+,10-,12-/m0/s1
InChIKeyMHBQQDNEPQYCOS-CBQPQWBASA-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 IIB (CHEBI:218541) is a oligopeptide (CHEBI:25676)
IUPAC Name 
[(Z)-[(3S,9S,12S,15S)-15-amino-9-(aminomethyl)-3-[(6R)-2-amino-1,4,5,6-tetrahydropyrimidin-6-yl]-12-methyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclohexadec-6-ylidene]methyl]urea
Manual XrefsDatabases
2298734ChemSpider