precorrin-6B
Chemical Formula:
C44H48N4O16
Molecular Weight:
888.88 Daltons
Monoisotopic Mass:
896.369131772 Daltons
SMILES:
CC5(CCC([O-])=O)(C(CC([O-])=O)[CH]3(N=C(CC1(C(CCC([O-])=O)=C(CC(=O)[O-])C(C)(N=1)CC2(N=C(C(C)(CC([O-])=O)C=2CCC([O-])=O)C=C4(C(C(C3(C)N4)(C)CC([O-])=O)CCC(=O)[O-]))))5))
InChI:
1S/C44H56N4O16/c1-40(13-12-34(55)56)25(15-36(59)60)39-44(5)42(3,20-38(63)64)23(8-11-33(53)54)27(48-44)17-30-41(2,19-37(61)62)22(7-10-32(51)52)28(45-30)18-43(4)24(14-35(57)58)21(6-9-31(49)50)26(47-43)16-29(40)46-39/h17,23,25,39,48H,6-16,18-20H2,1-5H3,(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)/p-8/b27-17-/t23-,25+,39-,40-,41+,42+,43+,44+/m1/s1
InChIKey:
Synonyms
- precorrin-6y
Databases
MetaCyc:
CPD-679
PubChem (CID):
90657152
ChEBI:
58532
KEGG:
C06319
Seed:
cpd03760
MetaNetX:
MNXM1497