(Q27131866)

biotinyl-5'-adenylate (English)

7 October 2016

chemical formula

C₂₀H₂₇N₇O₉PS⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C1C2C(C(S1)CCCCC(=O)OP(=O)([O-])OCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)O)O)NC(=O)N2

1 reference

biotinyl-5'-adenylate (English)

7 October 2016

isomeric SMILES

C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C4N=CN=C5N)O)O)NC(=O)N2

1 reference

biotinyl-5'-adenylate (English)

InChI=1S/C20H28N7O9PS/c21-17-14-18(23-7-22-17)27(8-24-14)19-16(30)15(29)10(35-19)5-34-37(32,33)36-12(28)4-2-1-3-11-13-9(6-38-11)25-20(31)26-13/h7-11,13,15-16,19,29-30H,1-6H2,(H,32,33)(H2,21,22,23)(H2,25,26,31)/p-1/t9-,10+,11-,13-,15+,16+,19+/m0/s1

7 October 2016

Identifiers

InChI

1 reference

biotinyl-5'-adenylate (English)

UTQCSTJVMLODHM-RHCAYAJFSA-M

7 October 2016

InChIKey

2 references

biotinyl-5'-adenylate (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

5'-O-[({5-[(3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}oxy)phosphinato]adenosine (English)

7 October 2016

1 reference

biotinyl-5'-adenylate (English)

7 October 2016

ChEBI ID

62414

mapping relation type

1 reference