Browsing CypCompounds in CypBoM Training Set

*Bonds of Metabolism (BoMs) are listed for each cytochrome P450 (CYP) enzyme

Displaying compounds 101 - 125 of 679 in total
CypComp ID Name Structure ImageCYP1A2CYP2A6CYP2B6CYP2C8CYP2C9CYP2C19CYP2D6CYP2E1CYP3A4
CC01886AmiodaroneIyiklhrqxlhmjq uhfffaoysa n
  • <30,27;Cleavage;R1>
  • <30,H;Oxidation;R1>
  • <28,27;Cleavage;R2>
  • <28,H;Oxidation;R2>
  • Not Available
  • Not Available
  • <30,27;Cleavage;R1>
  • <30,H;Oxidation;R1>
  • <28,27;Cleavage;R2>
  • <28,H;Oxidation;R2>
  • <30,27;Cleavage;R1>
  • <30,H;Oxidation;R1>
  • <28,27;Cleavage;R2>
  • <28,H;Oxidation;R2>
  • <30,27;Cleavage;R1>
  • <30,H;Oxidation;R1>
  • <28,27;Cleavage;R2>
  • <28,H;Oxidation;R2>
  • <30,27;Cleavage;R1>
  • <30,H;Oxidation;R1>
  • <28,27;Cleavage;R2>
  • <28,H;Oxidation;R2>
  • Not Available
  • <30,27;Cleavage;R1>
  • <30,H;Oxidation;R1>
  • <28,27;Cleavage;R2>
  • <28,H;Oxidation;R2>
CC01887AmitriptylineKrmdcwkbezimab uhfffaoysa n
  • <20,19;Cleavage;R1>
  • <20,H;Oxidation;R1>
  • <21,19;Cleavage;R2>
  • <21,H;Oxidation;R2>
  • Not Available
  • <20,19;Cleavage;R1>
  • <20,H;Oxidation;R1>
  • <21,19;Cleavage;R2>
  • <21,H;Oxidation;R2>
  • <13,H;Hydroxylation;R3>
  • <10,H;Hydroxylation;R4>
  • (show allshow less)
  • <20,19;Cleavage;R1>
  • <20,H;Oxidation;R1>
  • <21,19;Cleavage;R2>
  • <21,H;Oxidation;R2>
  • <20,19;Cleavage;R1>
  • <20,H;Oxidation;R1>
  • <21,19;Cleavage;R2>
  • <21,H;Oxidation;R2>
  • <20,19;Cleavage;R1>
  • <20,H;Oxidation;R1>
  • <21,19;Cleavage;R2>
  • <21,H;Oxidation;R2>
  • <20,19;Cleavage;R1>
  • <20,H;Oxidation;R1>
  • <21,19;Cleavage;R2>
  • <21,H;Oxidation;R2>
  • <13,H;Hydroxylation;R3>
  • <10,H;Hydroxylation;R4>
  • (show allshow less)
  • Not Available
  • <20,19;Cleavage;R1>
  • <20,H;Oxidation;R1>
  • <21,19;Cleavage;R2>
  • <21,H;Oxidation;R2>
  • <13,H;Hydroxylation;R3>
  • <10,H;Hydroxylation;R4>
  • (show allshow less)
CC01834AMMCIwauxkqgxmtxlr uhfffaoysa n
  • <5,4;Cleavage;R1>
  • <5,H;Oxidation;R1>
  • Not Available
  • <5,4;Cleavage;R1>
  • <5,H;Oxidation;R1>
  • Not Available
  • Not Available
  • Not Available
  • <5,4;Cleavage;R1>
  • <5,H;Oxidation;R1>
  • Not Available
  • Not Available
CC02167AmodiaquineOvcdsshsilbfbn uhfffaoysa n
  • Not Available
  • Not Available
  • Not Available
  • <18,17;Cleavage;R1>
  • <18,H;Oxidation;R1>
  • <20,17;Cleavage;R2>
  • <20,H;Oxidation;R2>
  • Not Available
  • <18,17;Cleavage;R1>
  • <18,H;Oxidation;R1>
  • <20,17;Cleavage;R2>
  • <20,H;Oxidation;R2>
  • <18,17;Cleavage;R1>
  • <18,H;Oxidation;R1>
  • <20,17;Cleavage;R2>
  • <20,H;Oxidation;R2>
  • Not Available
  • <18,17;Cleavage;R1>
  • <18,H;Oxidation;R1>
  • <20,17;Cleavage;R2>
  • <20,H;Oxidation;R2>
CC02360AndrostenedioneAemfnilzojdqlw lhhmmcjzsa n
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <8,H;Hydroxylation;R1>
CC02322AnilinePayrujlwncnpsj uhfffaoysa n
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <5,H;Hydroxylation;R1>
  • Not Available
CC01888AntipyrineVeqoalnaajbpny uhfffaoysa n
  • <7,H;Hydroxylation;R1>
  • <9,H;Hydroxylation;R2>
  • <8,3;Cleavage;R3>
  • <8,H;Oxidation;R3>
  • <7,H;Hydroxylation;R1>
  • <9,H;Hydroxylation;R2>
  • <8,3;Cleavage;R3>
  • <8,H;Oxidation;R3>
  • <7,H;Hydroxylation;R1>
  • <7,H;Hydroxylation;R1>
  • <9,H;Hydroxylation;R2>
  • <8,3;Cleavage;R3>
  • <8,H;Oxidation;R3>
  • <7,H;Hydroxylation;R1>
  • <9,H;Hydroxylation;R2>
  • <8,3;Cleavage;R3>
  • <8,H;Oxidation;R3>
  • Not Available
  • <7,H;Hydroxylation;R1>
  • <8,3;Cleavage;R2>
  • <8,H;Oxidation;R2>
  • <7,H;Hydroxylation;R1>
  • <9,H;Hydroxylation;R2>
  • <8,3;Cleavage;R3>
  • <8,H;Oxidation;R3>
  • <7,H;Hydroxylation;R1>
  • <8,3;Cleavage;R2>
  • <8,H;Oxidation;R2>
CC01889AprepitantAtalofndeocmkk oitmnorjsa n
  • <20,13;Cleavage;R1>
  • <20,H;Oxidation;R1>
  • <33,19;Cleavage;R1>
  • <33,H;Oxidation;R1>
  • <31,2;Cleavage;R1>
  • <31,H;Oxidation;R1>
  • <4,13;Oxidation;R1>
  • (show allshow less)
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <20,13;Cleavage;R1>
  • <20,H;Oxidation;R1>
  • <33,19;Cleavage;R1>
  • <33,H;Oxidation;R1>
  • <31,2;Cleavage;R1>
  • <31,H;Oxidation;R1>
  • <4,13;Oxidation;R1>
  • (show allshow less)
  • Not Available
  • Not Available
  • <15,2;Cleavage;R1>
  • <15,H;Oxidation;R1>
  • <20,13;Cleavage;R2>
  • <20,H;Oxidation;R2>
  • <33,19;Cleavage;R2>
  • <33,H;Oxidation;R2>
  • <31,2;Cleavage;R2>
  • <31,H;Oxidation;R2>
  • <4,13;Oxidation;R2>
  • (show allshow less)
CC02471Aprepitant M1Afbdsajomzyqai cnozutplsa n
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <1,5;DeHydrogenation;R1>
CC01890Arachidonic acidYzxbapsdxzzrgb dofzraljsa n
  • <7,11;EpOxidation;R1>
  • <16,19;EpOxidation;R2>
  • <20,21;EpOxidation;R3>
  • <4,H;Hydroxylation;R4>
  • <6,H;Hydroxylation;R5>
  • <8,H;Hydroxylation;R6>
  • <12,H;Hydroxylation;R7>
  • <15,H;Hydroxylation;R8>
  • <18,H;Hydroxylation;R9>
  • (show allshow less)
  • <6,H;Hydroxylation;R1>
  • <6,H;Hydroxylation;R1>
  • <7,11;EpOxidation;R2>
  • <8,H;Hydroxylation;R1>
  • <6,H;Hydroxylation;R2>
  • <7,11;EpOxidation;R3>
  • <16,19;EpOxidation;R4>
  • <12,H;Hydroxylation;R5>
  • <15,H;Hydroxylation;R6>
  • <18,H;Hydroxylation;R7>
  • (show allshow less)
  • <8,H;Hydroxylation;R1>
  • <6,H;Hydroxylation;R2>
  • <7,11;EpOxidation;R3>
  • <16,19;EpOxidation;R4>
  • <12,H;Hydroxylation;R5>
  • <15,H;Hydroxylation;R6>
  • <18,H;Hydroxylation;R7>
  • (show allshow less)
  • <7,11;EpOxidation;R1>
  • <16,19;EpOxidation;R2>
  • <6,H;Hydroxylation;R3>
  • <6,H;Hydroxylation;R1>
  • <6,H;Hydroxylation;R1>
  • <6,H;Hydroxylation;R1>
  • <8,H;Hydroxylation;R2>
  • <12,H;Hydroxylation;R3>
  • <15,H;Hydroxylation;R4>
  • <18,H;Hydroxylation;R5>
CC02361AripiprazoleCeuorzqygodefx uhfffaoysa n
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <6,10;Dehydrogenation;R1>
CC02362Artelinic acidUvnhkoojxsalhn ilqpjifqsa n
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <21,19;Cleavage;R1>
  • <21,H;Oxidation;R1>
CC02270AstemizoleGxdalqbwzgodgz uhfffaoysa n
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <11,H;Hydroxylation;R1>
  • <34,33;Cleavage;R2>
  • <34,H;Oxidation;R2>
  • Not Available
  • <11,H;Hydroxylation;R1>
  • <25,23;Cleavage;R2>
  • <25,H;Oxidation;R2>
CC01891AtomoxetineVhgcdtvcolntbx krwdzbqosa n
  • <12,H;Hydroxylation;R1>
  • <19,H;Oxidation;R2>
  • <19,18;Cleavage;R2>
  • Not Available
  • <12,H;Hydroxylation;R1>
  • <19,H;Oxidation;R2>
  • <19,18;Cleavage;R2>
  • Not Available
  • <19,18;Cleavage;R1>
  • <19,H;Oxidation;R1>
  • <12,H;Hydroxylation;R1>
  • <19,H;Oxidation;R2>
  • <19,18;Cleavage;R2>
  • <12,H;Hydroxylation;R1>
  • <19,H;Oxidation;R2>
  • <19,18;Cleavage;R2>
  • <15,H;Hydroxylation;R3>
  • <12,H;Hydroxylation;R1>
  • <12,H;Hydroxylation;R1>
  • <19,H;Oxidation;R2>
  • <19,18;Cleavage;R2>
CC02363AtorvastatinXukuurhrxduebc kaywlychsa n
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <29,H;Hydroxylation;R1>
  • <28,H;Hydroxylation;R2>
  • <36,H;Hydroxylation;R3>
CC01892AtrazineMxwjvtooroxgiu uhfffaoysa n
  • <8,7;Cleavage;R1>
  • <8,H;Oxidation;R1>
  • <11,10;Cleavage;R2>
  • <11,H;Oxidation;R2>
  • Not Available
  • <8,7;Cleavage;R1>
  • <8,H;Oxidation;R1>
  • <11,10;Cleavage;R2>
  • <11,H;Oxidation;R2>
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <8,7;Cleavage;R1>
  • <8,H;Oxidation;R1>
  • <11,10;Cleavage;R2>
  • <11,H;Oxidation;R2>
CC01893AzelastineMbuvewmhonzeqd gosisdbhsa n
  • <27,23;Cleavage;R1>
  • <27,H;Oxidation;R1>
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <27,23;Cleavage;R1>
  • <27,H;Oxidation;R1>
  • <27,23;Cleavage;R1>
  • <27,H;Oxidation;R1>
  • Not Available
  • <27,23;Cleavage;R1>
  • <27,H;Oxidation;R1>
CC02096BarnidipineVxmoonumylcfjd dhlkqenfsa n
  • Not Available
  • <30,28;Cleavage;R1>
  • <30,H;Oxidation;R1>
  • <13,H;Oxidation;R3>
  • <13,9;Oxidation;R3>
  • <9,4;Reduction;R3>
  • <4,1;Oxidation;R3>
  • <1,2;Oxidation;R3>
  • <2,6;Ruction;R3>
  • <6,13;Oxidation;R3>
  • <1,H;Oxidation;R3>
  • (show allshow less)
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <30,28;Cleavage;R1>
  • <30,H;Oxidation;R1>
  • <13,H;Oxidation;R3>
  • <13,9;Oxidation;R3>
  • <9,4;Reduction;R3>
  • <4,1;Oxidation;R3>
  • <1,2;Oxidation;R3>
  • <2,6;Ruction;R3>
  • <6,13;Oxidation;R3>
  • <1,H;Oxidation;R3>
  • (show allshow less)
  • Not Available
  • <30,28;Cleavage;R1>
  • <30,H;Oxidation;R1>
  • <13,H;Oxidation;R3>
  • <13,9;Oxidation;R3>
  • <9,4;Reduction;R3>
  • <4,1;Oxidation;R3>
  • <1,2;Oxidation;R3>
  • <2,6;Ruction;R3>
  • <6,13;Oxidation;R3>
  • <1,H;Oxidation;R3>
  • (show allshow less)
CC02158BDBVhmrxgaiddcgdu vifpvbqesa n
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <14,1;Cleavage;R1>
  • <14,2;Cleavage;R1>
  • <14,H;Oxidation;R1>
  • <14,1;Cleavage;R1>
  • <14,2;Cleavage;R1>
  • <14,H;Oxidation;R1>
  • Not Available
  • <14,1;Cleavage;R1>
  • <14,2;Cleavage;R1>
  • <14,H;Oxidation;R1>
CC02323BenzeneUhovqnzjysornb uhfffaoysa n
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <1,H;Hydroxylation;R1>
  • <2,H;Hydroxylation;R2>
  • <3,H;Hydroxylation;R3>
  • <4,H;Hydroxylation;R4>
  • <5,H;Hydroxylation;R5>
  • <6,H;Hydroxylation;R6>
  • <1,2;EpOxidation;R7>
  • <2,3;EpOxidation;R8>
  • <3,4;EpOxidation;R9>
  • <4,5;EpOxidation;R10>
  • <5,6;EpOxidation;R11>
  • <6,1;EpOxidation;R12>
  • (show allshow less)
  • Not Available
CC01894Benzo[a]pyreneFmmwhpnwafzxnh uhfffaoysa n
  • <11,13;EpOxidation;R1>
  • <16,19;EpOxidation;R2>
  • <17,20;EpOxidation;R3>
  • <15,H;Hydroxylation;R4>
  • <19,H;Hydroxylation;R5>
  • Not Available
  • Not Available
  • <11,13;EpOxidation;R1>
  • <17,20;EpOxidation;R2>
  • <15,H;Hydroxylation;R3>
  • <15,H;Hydroxylation;R1>
  • <17,20;EpOxidation;R2>
  • Not Available
  • Not Available
  • <15,H;Hydroxylation;R1>
  • <17,20;EpOxidation;R2>
  • <11,13;EpOxidation;R1>
  • <16,19;EpOxidation;R2>
  • <17,20;EpOxidation;R3>
  • <15,H;Hydroxylation;R4>
  • <19,H;Hydroxylation;R5>
CC01895Benzo[a]pyrene-7,8-diolFwkxmjcjeouxde uhfffaoysa n
  • <19,20;Epoxidation;R1>
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
CC02123BenzphetamineYxktvdfxdrqtkv oahllokosa n
  • Not Available
  • Not Available
  • <6,5;Cleavage;R1>
  • <6,H;Oxidation;R1>
  • <6,5;Cleavage;R1>
  • <6,H;Oxidation;R1>
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <6,5;Cleavage;R1>
  • <6,H;Oxidation;R1>
CC02124beta-ArteetherAgxlqrpcbkyrsr jwetugrjsa n
  • Not Available
  • Not Available
  • <2,3;Cleavage;R1>
  • <2,H;Oxidation;R1>
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <2,3;Cleavage;R1>
  • <2,H;Oxidation;R1>
CC02364beta-ThujoneUsmnowbwphyoea xkssxdpksa n
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <9,H;Hydroxylation;R1>
  • <1,H;Hydroxylation;R2>
  • <10,9;Dehydrogenation;R3>
  • <11,9;Dehydrogenation;R4>
Displaying compounds 101 - 125 of 679 in total