(Q27097621)

6-{4-[HYDROXY-(4-NITRO-PHENOXY)-PHOSPHORYL]-BUTYRYLAMINO}-HEXANOIC ACID (English)

19 October 2016

chemical formula

C₁₆H₂₃N₂O₈P

1 reference

6-{4-[HYDROXY-(4-NITRO-PHENOXY)-PHOSPHORYL]-BUTYRYLAMINO}-HEXANOIC ACID (English)

19 October 2016

canonical SMILES

C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(CCCC(=O)NCCCCCC(=O)O)O

1 reference

6-{4-[HYDROXY-(4-NITRO-PHENOXY)-PHOSPHORYL]-BUTYRYLAMINO}-HEXANOIC ACID (English)

19 October 2016

isomeric SMILES

c1cc(ccc1[N+](=O)[O-])O[P@@](=O)(CCCC(=O)NCCCCCC(=O)O)O

1 reference

stated in

RCSB protein data bank

PDB ligand ID

PNF

InChI=1S/C16H23N2O8P/c19-15(17-11-3-1-2-6-16(20)21)5-4-12-27(24,25)26-14-9-7-13(8-10-14)18(22)23/h7-10H,1-6,11-12H2,(H,17,19)(H,20,21)(H,24,25)

16 February 2021

Identifiers

InChI

1 reference

6-{4-[HYDROXY-(4-NITRO-PHENOXY)-PHOSPHORYL]-BUTYRYLAMINO}-HEXANOIC ACID (English)

WYHHVZLGTMCKOR-UHFFFAOYSA-N

19 October 2016

InChIKey

2 references

6-{4-[HYDROXY-(4-NITRO-PHENOXY)-PHOSPHORYL]-BUTYRYLAMINO}-HEXANOIC ACID (English)

19 October 2016

stated in

ChEBI release 2020-09-01

1 reference

6-({4-[Hydroxy(4-nitrophenoxy)phosphoryl]butanoyl}amino)hexanoic acid (English)

19 October 2016

2 references

6-{4-[HYDROXY-(4-NITRO-PHENOXY)-PHOSPHORYL]-BUTYRYLAMINO}-HEXANOIC ACID (English)

matched by identifier from

19 October 2016

InChIKey

WYHHVZLGTMCKOR-UHFFFAOYSA-N

ChEBI ID

45068

mapping relation type

2 references

6-{4-[hydroxy-(4-nitrophenoxy)phosphoryl]butyrylamino}hexanoic acid (English)

matched by identifier from

19 October 2016

International Chemical Identifier

InChI

InChI=1S/C16H23N2O8P/c19-15(17-11-3-1-2-6-16(20)21)5-4-12-27(24,25)26-14-9-7-13(8-10-14)18(22)23/h7-10H,1-6,11-12H2,(H,17,19)(H,20,21)(H,24,25)

1 reference

1 reference

matched by identifier from

InChIKey

WYHHVZLGTMCKOR-UHFFFAOYSA-N

0 references

1 reference

Immune Epitope Database and Analysis Resource

1 March 2022

0 references

1 reference

1YEJ (English)