baumannoferrin A
Chemical Formula:
C28H41N4O13
Molecular Weight:
641.651 Daltons
Monoisotopic Mass:
644.2904875205 Daltons
SMILES:
CCCCCCCC=CC(=O)N(O)CCCNC(CC(O)(C([O-])=O)CC(NCCC(N1(C(=O)CCC(C([O-])=O)(O)1))C([O-])=O)=O)=O
InChI:
1S/C28H44N4O13/c1-2-3-4-5-6-7-8-10-22(35)31(45)16-9-14-29-20(33)17-27(43,25(39)40)18-21(34)30-15-12-19(24(37)38)32-23(36)11-13-28(32,44)26(41)42/h8,10,19,43-45H,2-7,9,11-18H2,1H3,(H,29,33)(H,30,34)(H,37,38)(H,39,40)(H,41,42)/p-3/b10-8+
InChIKey:
Databases
MetaCyc:
CPD-21009
PubChem (CID):
134820056