input word = C00000735

Metabolite InformationStructural formula
Name Enterobactin
Formula C30H27N3O15
Mw 669.14421722
CAS RN 28384-96-5
C_ID C00000735 ,
InChIKey SERBHKJMVBATSJ-CRFFOPCENA-N
InChICode InChI=1S/C30H27N3O15/c34-19-7-1-4-13(22(19)37)25(40)31-16-10-46-29(44)18(33-27(42)15-6-3-9-21(36)24(15)39)12-48-30(45)17(11-47-28(16)43)32-26(41)14-5-2-8-20(35)23(14)38/h1-9,16-18,34-39H,10-12H2,(H,31,40)(H,32,41)(H,33,42)/t16-,17-,18-/m0/s1
SMILES c1(cccc(c1O)C(=O)N[C@@H]1C(=O)OC[C@@H](C(=O)OC[C@@H](C(=O)OC1)NC(=O)c1c(c(ccc1)O)O)NC(=O)c1c(c(ccc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Asp
Organism
Kingdom Family Species Reference
BacteriaEnterobacteriaceaeEscherichia coli Ref.
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