ferrienterobactin (Q27104434)

ferrienterobactin (English)

5 October 2016

chemical formula

C₃₀H₂₄FeN₃O₁₅

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C1=CC(=C(C(=C1)[O-])O)C(=NC2(COC(C(COC(C(COC2=O)(N=C(C=3C=CC=C(C3O)[O-])O)[H])=O)(N=C(C=4C=CC=C(C4O)[O-])O)[H])=O)[H])O.[Fe 3]

1 reference

ferrienterobactin (English)

5 October 2016

isomeric SMILES

C1=CC(=C(C(=C1)[O-])O)C(=N[C@]2(COC([C@](COC([C@](COC2=O)(N=C(C=3C=CC=C(C3O)[O-])O)[H])=O)(N=C(C=4C=CC=C(C4O)[O-])O)[H])=O)[H])O.[Fe 3]

1 reference

ferrienterobactin (English)

InChI=1S/C30H27N3O15.Fe/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);/q; 3/p-3/t16-,17-,18-;/m0./s1

5 October 2016

Identifiers

InChI

1 reference

ferrienterobactin (English)

NGILTSZTOFYVBF-UVJOBNTFSA-K

5 October 2016

InChIKey

2 references

ferrienterobactin (English)

5 October 2016

stated in

ChEBI release 2020-09-01

1 reference

ferrienterobactin (English)

5 October 2016

1 reference

matched by identifier from

ferrienterobactin (English)

5 October 2016

2 references

26 December 2021

InChIKey

NGILTSZTOFYVBF-UVJOBNTFSA-K

Gmelin number

2494966

0 references

ChEBI ID

38151

mapping relation type

2 references

ferrienterobactin (English)