3''-adenylylstreptomycin
Chemical Formula:
C31H53N12O18P
Molecular Weight:
912.803 Daltons
Monoisotopic Mass:
913.3416645036 Daltons
SMILES:
CC1(OC(C(C1(C=O)O)OC2(C(C(C(C(O2)CO)O)OP(=O)([O-])OCC3(OC(C(C3O)O)N5(C4(=NC=NC(=C4N=C5)N))))[N+]C))OC6(C(C(C(C(C6O)O)NC(N)=[N+])O)NC(N)=[N+]))
InChI:
1S/C31H51N12O18P/c1-8-31(52,5-45)23(28(56-8)59-21-12(42-30(35)36)17(48)11(41-29(33)34)18(49)19(21)50)60-27-13(37-2)22(16(47)9(3-44)58-27)61-62(53,54)55-4-10-15(46)20(51)26(57-10)43-7-40-14-24(32)38-6-39-25(14)43/h5-13,15-23,26-28,37,44,46-52H,3-4H2,1-2H3,(H,53,54)(H2,32,38,39)(H4,33,34,41)(H4,35,36,42)/p+2/t8-,9-,10+,11+,12-,13-,15+,16-,17+,18-,19+,20+,21+,22-,23-,26+,27-,28-,31+/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-484
ChEBI:
58605
PubChem (CID):
25201973
KEGG:
C03462
Seed:
cpd02189
MetaNetX:
MNXM3828