petrobactin
Chemical Formula:
C34H51N6O11
Molecular Weight:
719.81 Daltons
Monoisotopic Mass:
720.3694065435001 Daltons
SMILES:
C([N+]CCCCNC(=O)CC(C([O-])=O)(O)CC(=O)NCCCC[N+]CCCNC(C1(C=CC(O)=C(O)C=1))=O)CCNC(C2(C=CC(O)=C(O)C=2))=O
InChI:
1S/C34H50N6O11/c41-25-9-7-23(19-27(25)43)31(47)39-17-5-13-35-11-1-3-15-37-29(45)21-34(51,33(49)50)22-30(46)38-16-4-2-12-36-14-6-18-40-32(48)24-8-10-26(42)28(44)20-24/h7-10,19-20,35-36,41-44,51H,1-6,11-18,21-22H2,(H,37,45)(H,38,46)(H,39,47)(H,40,48)(H,49,50)/p+1
InChIKey:
Databases
MetaCyc:
CPD-9985
PubChem (CID):
44229176
Seed:
cpd25926
MetaNetX:
MNXM20400