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CHEBI:221360 - Capuramycin

ChEBI IDCHEBI:221360
ChEBI NameCapuramycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H31N5O12
Net Charge0
Average Mass569.524
Monoisotopic Mass569.19692
SMILESCO[C@H]1[C@@H](O)[C@H](n2ccc(=O)nc2=O)O[C@@H]1[C@@H](O[C@H]1OC(C(=O)N[C@H]2CCCCNC2=O)=C[C@H](O)[C@@H]1O)C(N)=O
InChIInChI=1S/C23H31N5O12/c1-37-15-14(32)21(28-7-5-12(30)27-23(28)36)39-16(15)17(18(24)33)40-22-13(31)10(29)8-11(38-22)20(35)26-9-4-2-3-6-25-19(9)34/h5,7-10,13-17,21-22,29,31-32H,2-4,6H2,1H3,(H2,24,33)(H,25,34)(H,26,35)(H,27,30,36)/t9-,10-,13-,14+,15-,16-,17+,21+,22+/m0/s1
InChIKeyBISOEENGZHMDEO-RLXIHFJVSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (3759655)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Capuramycin (CHEBI:221360) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
(2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-[(3S)-2-oxoazepan-3-yl]-3,4-dihydro-2H-pyran-6-carboxamide
Manual XrefsDatabases
NKMPDBeChem
4589219ChemSpider