2,3-dihydroxybenzoyl 5'-adenylate (Q27098110)

(2,3-dihydroxybenzoyl)adenylate (English)

4 October 2016

chemical formula

C₁₇H₁₈N₅O₁₀P

1 reference

(2,3-dihydroxybenzoyl)adenylate (English)

4 October 2016

canonical SMILES

C1=CC(=C(C(=C1)O)O)C(=O)OP(=O)(O)OCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O

1 reference

(2,3-dihydroxybenzoyl)adenylate (English)

4 October 2016

isomeric SMILES

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

1 reference

(2,3-dihydroxybenzoyl)adenylate (English)

InChI=1S/C17H18N5O10P/c18-14-10-15(20-5-19-14)22(6-21-10)16-13(26)12(25)9(31-16)4-30-33(28,29)32-17(27)7-2-1-3-8(23)11(7)24/h1-3,5-6,9,12-13,16,23-26H,4H2,(H,28,29)(H2,18,19,20)/t9-,12-,13-,16-/m1/s1

4 October 2016

Identifiers

InChI

1 reference

(2,3-dihydroxybenzoyl)adenylate (English)

ULPVJDOMCRTJSN-RVXWVPLUSA-N

4 October 2016

InChIKey

2 references

(2,3-dihydroxybenzoyl)adenylate (English)

4 October 2016

stated in

ChEBI release 2020-09-01

1 reference

5'-O-{[(2,3-Dihydroxybenzoyl)oxy](hydroxy)phosphoryl}adenosine (English)

4 October 2016

1 reference

(2,3-dihydroxybenzoyl)adenylate (English)

4 October 2016

ChEBI ID

15572

mapping relation type

1 reference