8α-(N(3)-histidyl)riboflavin
Chemical Formula:
C23H26N7O8
Molecular Weight:
528.5 Daltons
Monoisotopic Mass:
530.199935912 Daltons
SMILES:
CC1(=C(C=C2(N(C3(=NC([N-]C(C(=NC(=C1)2)3)=O)=O))CC(C(C(CO)O)O)O))CN4(C=C(N=C4)CC([N+])C(=O)[O-]))
InChI:
1S/C23H27N7O8/c1-10-2-14-15(3-11(10)5-29-6-12(25-9-29)4-13(24)22(36)37)30(7-16(32)19(34)17(33)8-31)20-18(26-14)21(35)28-23(38)27-20/h2-3,6,9,13,16-17,19,31-34H,4-5,7-8,24H2,1H3,(H2,28,35,36,37,38)/p-1/t13-,16-,17+,19-/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-8703
PubChem (CID):
91820568
Seed:
cpd25386
MetaNetX:
MNXM39473