PDB CCD ID: | ALE |
Number of entries in BioLiP: | 9 |
Chemical formula: | C9 H13 N O3 |
InChI: | InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1 |
InChIKey: | UCTWMZQNUQWSLP-VIFPVBQESA-N |
SMILES: | Software | SMILES |
---|
OpenEye OEToolkits 1.7.6 | CNC[C@@H](c1ccc(c(c1)O)O)O | OpenEye OEToolkits 1.7.6 | CNCC(c1ccc(c(c1)O)O)O | CACTVS 3.370 | CNC[C@H](O)c1ccc(O)c(O)c1 | CACTVS 3.370 | CNC[CH](O)c1ccc(O)c(O)c1 | ACDLabs 12.01 | Oc1ccc(cc1O)C(O)CNC |
|
Name: | L-EPINEPHRINE; ADRENALINE |
ChEMBL: | CHEMBL679 |
DrugBank: | DB00668 |
ZINC: | ZINC000000039089 |