(Q27133682)

1-O-{-[amino(3,4-dihydroisoquinolin-2(1H)-yl)methylene]amino}-beta-D-glucopyranuronic acid (English)

7 October 2016

chemical formula

C₁₆H₂₁N₃O₇

1 reference

1-O-{-[amino(3,4-dihydroisoquinolin-2(1H)-yl)methylene]amino}-beta-D-glucopyranuronic acid (English)

7 October 2016

canonical SMILES

C1CN(CC2=CC=CC=C21)C(=NOC3C(C(C(C(O3)C(=O)O)O)O)O)N

1 reference

1-O-{-[amino(3,4-dihydroisoquinolin-2(1H)-yl)methylene]amino}-beta-D-glucopyranuronic acid (English)

7 October 2016

isomeric SMILES

C1CN(CC2=CC=CC=C21)/C(=N/O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)/N

1 reference

https://reactome.org/PathwayBrowser/#/R-HSA-1430728&DTAB=MT

1-O-{-[amino(3,4-dihydroisoquinolin-2(1H)-yl)methylene]amino}-beta-D-glucopyranuronic acid (English)

7 October 2016

1 reference

Identifiers

InChI

InChI=1S/C16H21N3O7/c17-16(19-6-5-8-3-1-2-4-9(8)7-19)18-26-15-12(22)10(20)11(21)13(25-15)14(23)24/h1-4,10-13,15,20-22H,5-7H2,(H2,17,18)(H,23,24)/t10-,11-,12+,13-,15-/m0/s1

1 reference

1-O-{-[amino(3,4-dihydroisoquinolin-2(1H)-yl)methylene]amino}-beta-D-glucopyranuronic acid (English)

IOVMNRAFAPHDOK-AIUMHDJVSA-N

7 October 2016

InChIKey

2 references

1-O-{-[amino(3,4-dihydroisoquinolin-2(1H)-yl)methylene]amino}-beta-D-glucopyranuronic acid (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

1-O-{[3,4-Dihydro-2(1H)-isoquinolinyl(imino)methyl]amino}-beta-D-glucopyranuronic acid (English)

7 October 2016

1 reference

1-O-{-[amino(3,4-dihydroisoquinolin-2(1H)-yl)methylene]amino}-beta-D-glucopyranuronic acid (English)

7 October 2016

ChEBI ID

65137

mapping relation type

2 references

N-hydroxydebrisoquine O-glucuronide (English)