(Q27133168)

3-{3-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]propanoyl}benzoic acid (English)

7 October 2016

chemical formula

C₁₉H₁₉N₅O₆

1 reference

3-{3-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]propanoyl}benzoic acid (English)

7 October 2016

canonical SMILES

C1=CC(=CC(=C1)C(=O)O)C(=O)CCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O

1 reference

3-{3-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]propanoyl}benzoic acid (English)

7 October 2016

isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C(=O)CC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=CN=C4N)O)O

1 reference

3-{3-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]propanoyl}benzoic acid (English)

InChI=1S/C19H19N5O6/c20-16-13-17(22-7-21-16)24(8-23-13)18-15(27)14(26)12(30-18)5-4-11(25)9-2-1-3-10(6-9)19(28)29/h1-3,6-8,12,14-15,18,26-27H,4-5H2,(H,28,29)(H2,20,21,22)/t12-,14-,15-,18-/m1/s1

7 October 2016

Identifiers

InChI

1 reference

3-{3-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]propanoyl}benzoic acid (English)

JSTYUEOJPRFLHR-SCFUHWHPSA-N

7 October 2016

InChIKey

2 references

3-{3-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]propanoyl}benzoic acid (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

aminodeoxyfutalosine (English)

7 October 2016

1 reference

3-{3-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]propanoyl}benzoic acid (English)

7 October 2016

ChEBI ID

64260

mapping relation type

2 references

aminodeoxyfutalosine (English)