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vibriobactin

Properties

Image

Occurences in reactions

MNX_ID

MNXM13259

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₃₅H₃₉N₅O₁₁

charge

mass

705.26461

reference

chebi:9973

InChIKey

LLMKLMMXMOTPRU-YOAXHERRSA-N

InChI

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

SMILES

C[C@@H]1OC(c2cccc(O)c2O)=N[C@H]1C(=O)NCCCN(CCCNC(=O)c1cccc(O)c1O)C(=O)[C@H]1N=C(c2cccc(O)c2O)O[C@@H]1C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:9973 chebi:9973	vibriobactin (4S,5R)-N-{3-[(2,3-dihydroxybenzoyl)amino]propyl}-2-(2,3-dihydroxyphenyl)-N-[3-({[(4R,5S)-2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)propyl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide
kegg.compound:C06769 keggC:C06769	Vibriobactin
seed.compound:cpd04146 seedM:cpd04146	Vibriobactin vibriobactin
metacyc.compound:CPD-2002 metacycM:CPD-2002	vibriobactin
keggC:M_C06769 seedM:M_cpd04146	secondary/obsolete/fantasy identifier