precorrin-5
Chemical Formula:
C45H46N4O17
Molecular Weight:
914.875 Daltons
Monoisotopic Mass:
922.3483963299001 Daltons
SMILES:
CC(C35(NC(=CC1(C(C(CCC(=O)[O-])=C(N=1)CC2(C(=C(CCC(=O)[O-])C(=N2)CC4(C(C(=C3N=4)CC(=O)[O-])(C)CCC(=O)[O-]))CC([O-])=O)C)(CC(=O)[O-])C))C(CCC([O-])=O)C(CC(=O)[O-])(C)5))=O
InChI:
1S/C45H54N4O17/c1-21(50)45-40-26(15-37(61)62)41(2,13-12-35(57)58)30(47-40)16-27-22(6-9-32(51)52)25(14-36(59)60)44(5,48-27)18-29-23(7-10-33(53)54)42(3,19-38(63)64)31(46-29)17-28(49-45)24(8-11-34(55)56)43(45,4)20-39(65)66/h17,24,49H,6-16,18-20H2,1-5H3,(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)(H,65,66)/p-8/b28-17-/t24-,41-,42+,43+,44?,45+/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-662
ChEBI:
58518
PubChem (CID):
25246147
KEGG:
C06416
Seed:
cpd03839
MetaNetX:
MNXM1588