(Q27123957)

CHEBI:53087 (English)

6 October 2016

chemical formula

C₁₃H₁₅IN₂O₆

1 reference

CHEBI:53087 (English)

6 October 2016

canonical SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])O)I)C(=O)NCCCCCC(=O)O

1 reference

CHEBI:53087 (English)

InChI=1S/C13H15IN2O6/c14-9-6-8(7-10(12(9)19)16(21)22)13(20)15-5-3-1-2-4-11(17)18/h6-7,19H,1-5H2,(H,15,20)(H,17,18)

6 October 2016

Identifiers

InChI

1 reference

CHEBI:53087 (English)

YRSRBWYEXNTPBJ-UHFFFAOYSA-N

6 October 2016

InChIKey

2 references

CHEBI:53087 (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

6-[(4-Hydroxy-3-iodo-5-nitrobenzoyl)amino]hexanoic acid (English)

6 October 2016

2 references

CHEBI:53087 (English)

matched by identifier from

6 October 2016

InChIKey

YRSRBWYEXNTPBJ-UHFFFAOYSA-N

ChEBI ID

53087

mapping relation type

2 references

6-(4-hydroxy-5-iodo-3-nitrobenzamido)hexanoic acid (English)

matched by identifier from

6 October 2016

International Chemical Identifier

InChI

InChI=1S/C13H15IN2O6/c14-9-6-8(7-10(12(9)19)16(21)22)13(20)15-5-3-1-2-4-11(17)18/h6-7,19H,1-5H2,(H,15,20)(H,17,18)

1 reference

1 reference

Immune Epitope Database and Analysis Resource

IEDB Epitope ID

116193