(Q27127154)

ZINC03861788 (English)

6 October 2016

chemical formula

C₂₂H₃₀N₇O₅⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CN(C)C1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)NC(=O)C(CC4=CC=C(C=C4)OC)[NH3+])O

1 reference

ZINC03861788 (English)

6 October 2016

isomeric SMILES

CN(C)C1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)[C@H](CC4=CC=C(C=C4)OC)[NH3+])O

1 reference

ZINC03861788 (English)

InChI=1S/C22H29N7O5/c1-28(2)19-17-20(25-10-24-19)29(11-26-17)22-18(31)16(15(9-30)34-22)27-21(32)14(23)8-12-4-6-13(33-3)7-5-12/h4-7,10-11,14-16,18,22,30-31H,8-9,23H2,1-3H3,(H,27,32)/p+1/t14-,15+,16+,18+,22+/m0/s1

6 October 2016

Identifiers

InChI

1 reference

ZINC03861788 (English)

RXWNCPJZOCPEPQ-NVWDDTSBSA-O

6 October 2016

InChIKey

2 references

ZINC03861788 (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

3'-{[(2S)-2-Ammonio-3-(4-methoxyphenyl)propanoyl]amino}-3'-deoxy-N,N-dimethyladenosine (English)

6 October 2016

1 reference

ZINC03861788 (English)

6 October 2016

ChEBI ID

60255

mapping relation type

1 reference