API


EnzyMine

Description:

Compute Atom–Atom Mapping and extract reaction rule under different radii.

URL:

http://www.rxnfinder.org/enzymine/API/enzymine/<reaction_id>

Example:

http://www.rxnfinder.org/enzymine/API/enzymine/RHEA:11540

{
            "ID": "RHEA:11540"
            "Reaction": "an N-acyl-D-mannosamine + NAD(+) = an N-acyl-D-mannosaminolactone + H(+) + NADH",
            "smirk": "[*]C(=O)NC(C=O)C(O)C(O)C(O)CO.NC(=O)c1ccc[n+](c1)C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(C(O)C2O)n2cnc3c(N)ncnc32)C(O)C1O>>[*]C(=O)NC1C(=O)OC(CO)C(O)C1O.[H+].NC(=O)C1=CN(C=CC1)C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(C(O)C2O)n2cnc3c(N)ncnc32)C(O)C1O",
            "Rule(Radius = 1)": "([C:10]-[n+;H0:8]1:[cH;+0:7]:[cH;+0:6]:[cH;+0:5]:[c;H0;+0:4](-[C:2]=[O:1]):[cH;+0:9]:1).([C:49]-[CH;+0:50]=[O:51].[C:56]-[OH;+0:57])>>([C:10]-[N;H0;+0:8]1-[CH;+0:7]=[CH;+0:6]-[CH2;+0:5]-[C;H0;+0:4](-[C:2]=[O:1])=[CH;+0:9]-1).([C:49]-[C;H0;+0:50](=[O:51])-[O;H0;+0:57]-[C:56])",
            "Rule(Radius = 2)": "([#8:11]-[C:10](-[C:43])-[n+;H0:8]1:[cH;+0:7]:[cH;+0:6]:[cH;+0:5]:[c;H0;+0:4](-[C:2](-[NH2:3])=[O:1]):[cH;+0:9]:1).([#7:48]-[C:49](-[C:52]-[C:54]-[C:56](-[C:58])-[OH;+0:57])-[CH;+0:50]=[O:51])>>([#8:11]-[C:10](-[C:43])-[N;H0;+0:8]1-[CH;+0:7]=[CH;+0:6]-[CH2;+0:5]-[C;H0;+0:4](-[C:2](-[NH2:3])=[O:1])=[CH;+0:9]-1).([#7:48]-[C:49]1-[C:52]-[C:54]-[C:56](-[C:58])-[O;H0;+0:57]-[C;H0;+0:50]-1=[O:51])",
            "Rule(Radius = 3)": "([NH2:3]-[C:2](=[O:1])-[c;H0;+0:4]1:[cH;+0:5]:[cH;+0:6]:[cH;+0:7]:[n+;H0:8](-[C:10]2-[#8:11]-[C:12]-[C:41]-[C:43]-2-[OH:44]):[cH;+0:9]:1).([O:47]=[C:46]-[#7:48]-[C:49](-[CH;+0:50]=[O:51])-[C:52](-[OH:53])-[C:54](-[OH:55])-[C:56](-[OH;+0:57])-[C:58]-[OH:59])>>([NH2:3]-[C:2](=[O:1])-[C;H0;+0:4]1=[CH;+0:9]-[N;H0;+0:8](-[C:10]2-[#8:11]-[C:12]-[C:41]-[C:43]-2-[OH:44])-[CH;+0:7]=[CH;+0:6]-[CH2;+0:5]-1).([O:47]=[C:46]-[#7:48]-[C:49]1-[C:52](-[OH:53])-[C:54](-[OH:55])-[C:56](-[C:58]-[OH:59])-[O;H0;+0:57]-[C;H0;+0:50]-1=[O:51])",
            "Rule(Radius = 4)": "([C:13]-[C:12]1-[#8:11]-[C:10](-[n+;H0:8]2:[cH;+0:7]:[cH;+0:6]:[cH;+0:5]:[c;H0;+0:4](-[C:2](-[NH2:3])=[O:1]):[cH;+0:9]:2)-[C:43](-[OH:44])-[C:41]-1-[OH:42]).([*:45]-[C:46](=[O:47])-[#7:48]-[C:49](-[CH;+0:50]=[O:51])-[C:52](-[OH:53])-[C:54](-[OH:55])-[C:56](-[OH;+0:57])-[C:58]-[OH:59])>>([C:13]-[C:12]1-[#8:11]-[C:10](-[N;H0;+0:8]2-[CH;+0:7]=[CH;+0:6]-[CH2;+0:5]-[C;H0;+0:4](-[C:2](-[NH2:3])=[O:1])=[CH;+0:9]-2)-[C:43](-[OH:44])-[C:41]-1-[OH:42]).([*:45]-[C:46](=[O:47])-[#7:48]-[C:49]1-[C:52](-[OH:53])-[C:54](-[OH:55])-[C:56](-[C:58]-[OH:59])-[O;H0;+0:57]-[C;H0;+0:50]-1=[O:51])",
            "Rule(Radius = 5)": "([#8:14]-[C:13]-[C:12]1-[#8:11]-[C:10](-[n+;H0:8]2:[cH;+0:7]:[cH;+0:6]:[cH;+0:5]:[c;H0;+0:4](-[C:2](-[NH2:3])=[O:1]):[cH;+0:9]:2)-[C:43](-[OH:44])-[C:41]-1-[OH:42]).([*:45]-[C:46](=[O:47])-[#7:48]-[C:49](-[CH;+0:50]=[O:51])-[C:52](-[OH:53])-[C:54](-[OH:55])-[C:56](-[OH;+0:57])-[C:58]-[OH:59])>>([#8:14]-[C:13]-[C:12]1-[#8:11]-[C:10](-[N;H0;+0:8]2-[CH;+0:7]=[CH;+0:6]-[CH2;+0:5]-[C;H0;+0:4](-[C:2](-[NH2:3])=[O:1])=[CH;+0:9]-2)-[C:43](-[OH:44])-[C:41]-1-[OH:42]).([*:45]-[C:46](=[O:47])-[#7:48]-[C:49]1-[C:52](-[OH:53])-[C:54](-[OH:55])-[C:56](-[C:58]-[OH:59])-[O;H0;+0:57]-[C;H0;+0:50]-1=[O:51])",

            }