blasticidin S
Chemical Formula:
C17H27N8O5
Molecular Weight:
423.451 Daltons
Monoisotopic Mass:
424.2182660509 Daltons
SMILES:
C(CC([N+])CC(=O)NC1(C=CC(OC(C(=O)[O-])1)N2(C(=O)N=C(N)C=C2)))N(C)C(=[N+])N
InChI:
1S/C17H26N8O5/c1-24(16(20)21)6-4-9(18)8-12(26)22-10-2-3-13(30-14(10)15(27)28)25-7-5-11(19)23-17(25)29/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,20,21)(H,22,26)(H,27,28)(H2,19,23,29)/p+1/t9-,10-,13+,14-/m0/s1
InChIKey:
Databases
MetaCyc:
BLASTICIDIN-S
ChEBI:
57289
HMDB:
HMDB30452
PubChem (CID):
38988970
KEGG:
C02010
NCI:
613045
CAS:
2079-00-7
Seed:
cpd01375
MetaNetX:
MNXM4492