uroporphyrin III
Chemical Formula:
C40H30N4O16
Molecular Weight:
822.694 Daltons
Monoisotopic Mass:
830.2282811942 Daltons
SMILES:
C([O-])(=O)CCC1(=C(CC([O-])=O)C2(N=C1C=C5(NC(=CC4(C(CCC([O-])=O)=C(CC([O-])=O)C(=CC3(=C(CCC([O-])=O)C(CC([O-])=O)=C(C=2)N3))N=4))C(CC([O-])=O)=C(CCC([O-])=O)5)))
InChI:
1S/C40H38N4O16/c45-33(46)5-1-17-21(9-37(53)54)29-14-27-19(3-7-35(49)50)22(10-38(55)56)30(43-27)15-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)16-31-23(11-39(57)58)18(2-6-34(47)48)26(42-31)13-25(17)41-29/h13-16,41,44H,1-12H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)/p-8/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-
InChIKey:
Databases
MetaCyc:
UROPORPHYRIN_III
PubChem (CID):
131841493
ChEBI:
15436
HMDB:
HMDB00916
KEGG:
C02469