vibriobactin
Chemical Formula:
C35H39N5O11
Molecular Weight:
705.72 Daltons
Monoisotopic Mass:
705.264607121 Daltons
SMILES:
CC5(C(C(NCCCN(C(=O)C2(C(C)OC(C1(=CC=CC(=C1O)O))=N2))CCCNC(C3(=CC=CC(=C3O)O))=O)=O)N=C(C4(=CC=CC(=C4O)O))O5)
InChI:
1S/C35H39N5O11/c1-18-26(38-33(50-18)21-9-4-12-24(42)29(21)45)32(48)37-15-7-17-40(16-6-14-36-31(47)20-8-3-11-23(41)28(20)44)35(49)27-19(2)51-34(39-27)22-10-5-13-25(43)30(22)46/h3-5,8-13,18-19,26-27,41-46H,6-7,14-17H2,1-2H3,(H,36,47)(H,37,48)/t18-,19+,26+,27-/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-2002
ChEBI:
9973
ChemSpider:
4575382
KEGG:
C06769
Seed:
cpd04146
MetaNetX:
MNXM13259