Ni-sirohydrochlorin a,c-diamide
Chemical Formula:
C42H40N6O14NI
Molecular Weight:
911.51 Daltons
Monoisotopic Mass:
916.2425481172 Daltons
SMILES:
CC1(CC(=O)N)(C2(=CC5(C(CCC(=O)[O-])C(C)(CC(=O)N)C6(=CC4(=C(CC(=O)[O-])C(CCC(=O)[O-])=C3(C=C8(C(CCC(=O)[O-])=C(CC(=O)[O-])C7(C=C(C(CCC(=O)[O-])1)N2[Ni--](N34)([N+]=56)[N+]=78))))))))
InChI:
1S/C42H48N6O14.Ni/c1-41(17-33(43)49)23(5-9-37(55)56)29-14-27-21(11-39(59)60)19(3-7-35(51)52)25(45-27)13-26-20(4-8-36(53)54)22(12-40(61)62)28(46-26)15-31-42(2,18-34(44)50)24(6-10-38(57)58)30(48-31)16-32(41)47-29;/h13-16,23-24H,3-12,17-18H2,1-2H3,(H12,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62);/q;+2/p-8/t23-,24-,41+,42+;/m1./s1
InChIKey:
Databases
MetaCyc:
CPD-7590
ChEBI:
136887
PubChem (CID):
126843468
Seed:
cpd24796
MetaNetX:
MNXM11372