precorrin-4
Chemical Formula:
C44H44N4O17
Molecular Weight:
900.848 Daltons
Monoisotopic Mass:
908.3327462657 Daltons
SMILES:
CC(=O)C25(NC(=CC4(=NC(CC3(NC(CC1(=NC(=C(CC(=O)[O-])C(C)(CCC(=O)[O-])1)2))=C(CCC(=O)[O-])C(CC(=O)[O-])=3))=C(CCC(=O)[O-])C(C)(CC(=O)[O-])4))C(CCC(=O)[O-])C(C)(CC(=O)[O-])5)
InChI:
1S/C44H52N4O17/c1-20(49)44-40-25(14-37(60)61)41(2,12-11-35(56)57)30(47-40)16-27-21(5-8-32(50)51)22(13-36(58)59)26(45-27)15-28-23(6-9-33(52)53)42(3,18-38(62)63)31(46-28)17-29(48-44)24(7-10-34(54)55)43(44,4)19-39(64)65/h17,24,45,48H,5-16,18-19H2,1-4H3,(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)(H,64,65)/p-8/b29-17-/t24-,41-,42+,43+,44+/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-651
ChEBI:
57769
PubChem (CID):
25245369
KEGG:
C06407
Seed:
cpd03834
MetaNetX:
MNXM1441