hydrogenobyrinate
Chemical Formula:
C45H54N4O14
Molecular Weight:
874.94 Daltons
Monoisotopic Mass:
881.4184276883 Daltons
SMILES:
CC3(=C5(C(C(C(C4(N=C(C(C)=C1(C(C(CCC(=O)[O-])C(=N1)C=C2(C(C)(C)C(CCC(=O)[O-])C(=N2)3))(CC(=O)[O-])C))C(CCC([O-])=O)C(CC(=O)[O-])(C)4)C)[N+]5)CC(=O)[O-])(C)CCC(=O)[O-]))
InChI:
1S/C45H60N4O14/c1-21-36-24(10-13-30(52)53)41(3,4)28(47-36)18-27-23(9-12-29(50)51)43(6,19-34(60)61)39(46-27)22(2)37-25(11-14-31(54)55)44(7,20-35(62)63)45(8,49-37)40-26(17-33(58)59)42(5,38(21)48-40)16-15-32(56)57/h18,23-26,40,48H,9-17,19-20H2,1-8H3,(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)/p-6/b28-18-,38-21-,39-22-/t23-,24-,25-,26+,40-,42-,43+,44+,45+/m1/s1
InChIKey:
Synonyms
- hydrogenobyrinic acid
Databases
MetaCyc:
CPD-687
ChEBI:
17926
PubChem (CID):
25244979
KEGG:
C06399
Seed:
cpd03832
MetaNetX:
MNXM1279