8-deoxy-neodysiherbaine (Q27074040)

8-deoxy-neoDH (English)

3 October 2016

chemical formula

C₁₁H₁₆NO₇⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C1C(COC2C1OC(C2)(CC(C(=O)[O-])[NH3+])C(=O)[O-])O

1 reference

8-deoxy-neoDH (English)

3 October 2016

isomeric SMILES

C1[C@@H](COC2C1O[C@@](C2)(C[C@@H](C(=O)[O-])[NH3+])C(=O)[O-])O

1 reference

8-deoxy-neoDH (English)

InChI=1S/C11H17NO7/c12-6(9(14)15)2-11(10(16)17)3-8-7(19-11)1-5(13)4-18-8/h5-8,13H,1-4,12H2,(H,14,15)(H,16,17)/p-1/t5-,6-,7?,8?,11+/m0/s1

3 October 2016

Identifiers

InChI

1 reference

8-deoxy-neoDH (English)

JVLNPAVKDNEYGY-SCTSMQQKSA-M

3 October 2016

InChIKey

1 reference

8-deoxy-neoDH (English)

3 October 2016

1 reference

(2R,3aR,6S,7aR)-2-[(2S)-2-Amino-2-carboxyethyl]-6-hydroxyhexahydro-2H-furo[3,2-b]pyran-2-carboxylic acid (English)

3 October 2016

2 references

8-deoxy-neoDH (English)

matched by identifier from

3 October 2016

InChIKey

JVLNPAVKDNEYGY-SCTSMQQKSA-M

1 reference

Guide to Pharmacology Ligand ID

4112

1 reference

stated in

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

4112

8-deoxy-neodysiherbaine (English)