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
CC01901CaffeineRyyvlzvuvijvgh uhfffaoysa n
  • <14,5;Cleavage;R1>
  • <14,H;Oxidation;R1>
  • <12,3;Cleavage;R2>
  • <12,H;Oxidation;R2>
  • <13,4;Cleavage;R3>
  • <13,H;Oxidation;R3>
  • <11,H;Hydroxylation;R4>
  • (show allshow less)
  • Not Available
  • Not Available
  • <13,4;Cleavage;R1>
  • <13,H;Oxidation;R1>
  • <11,H;Hydroxyaltion;R2>
  • <13,4;Cleavage;R1>
  • <13,H;Oxidation;R1>
  • <11,H;Hydroxyaltion;R2>
  • Not Available
  • <14,5;Cleavage;R1>
  • <14,H;Oxidation;R1>
  • <12,3;Cleavage;R2>
  • <12,H;Oxidation;R2>
  • <13,4;Cleavage;R3>
  • <13,H;Oxidation;R3>
  • <11,H;Hydroxylation;R4>
  • (show allshow less)
  • <13,4;Cleavage;R1>
  • <13,H;Oxidation;R1>
  • <12,3;Cleavage;R2>
  • <12,H;Oxidation;R2>
  • <11,H;Hydroxylation;R1>
  • <13,4;Cleavage;R2>
  • <13,H;Oxidation;R2>
CC01902CapsaicinYkpuwzuddoidpm sofgywhqsa n
  • <12,9;Cleavage;R1>
  • <12,H;Oxidation;R1>
  • Not Available
  • <7,4;Dehydrogenation;R1>
  • <20,H;Hydroxylation;R1>
  • <22,20;Dehydrogenation;R2>
  • <21,20;Dehydrogenation;R3>
  • <21,20;Dehydrogenation;R1>
  • <22,20;Dehydrogenation;R2>
  • <21,H;Hydroxylation;R3>
  • <22,H;Hydroxylation;R4>
  • <22,20;Dehydrogenation;R1>
  • <21,20;Dehydrogenation;R2>
  • <12,9;Cleavage;R3>
  • <12,H;Oxidation;R3>
  • Not Available
  • <22,20;Dehydrogenation;R1>
  • <21,20;Dehydrogenation;R2>
  • <21,H;Hydrlxylation;R3>
  • <22,H;Hydroxylation;R4>
  • <20,H;Hydroxylation;R1>
  • <4,7;Dehydrogenation;R2>
CC01903CarbarylCvxbeemkqhexen uhfffaoysa n
  • <8,H;Hydroxylation;R1>
  • <15,H;Hydroxylation;R2>
  • <7,H;Hydroxylation;R3>
  • Not Available
  • <8,H;Hydroxylation;R1>
  • <15,H;Hydroxylation;R2>
  • <7,H;Hydroxylation;R3>
  • Not Available
  • Not Available
  • <8,H;Hydroxylation;R1>
  • <15,H;Hydroxylation;R2>
  • <7,H;Hydroxylation;R3>
  • Not Available
  • Not Available
  • <8,H;Hydroxylation;R1>
  • <15,H;Hydroxylation;R2>
  • <7,H;Hydroxylation;R3>
CC01904CarbofuranDueprvbvgdrkag uhfffaoysa n
  • <5,H;Hydroxylation;R1>
  • Not Available
  • Not Available
  • <5,H;Hydroxylation;R1>
  • Not Available
  • <5,H;Hydroxylation;R1>
  • Not Available
  • Not Available
  • <5,H;Hydroxylation;R1>
CC01905CarvedilolOghnvejmjsyvrp krwdzbqosa n
  • <11,H;Hydroxylation;R1>
  • <30,27;Cleavage;R2>
  • <30,H;Oxidation;R2>
  • Not Available
  • Not Available
  • Not Available
  • <29,H;Hydroxylation;R1>
  • <28,H;Hydroxylation;R2>
  • <30,27;Cleavage;R3>
  • <30,H;Oxidation;R3>
  • Not Available
  • <29,H;Hydroxylation;R1>
  • <28,H;Hydroxylation;R2>
  • <30,27;Cleavage;R3>
  • <30,H;Oxidation;R3>
  • <29,H;Hydroxylation;R1>
  • <28,H;Hydroxylation;R2>
  • <30,27;Cleavage;R3>
  • <30,H;Oxidation;R3>
  • <29,H;Hydroxylation;R1>
  • <11,H;Hydroxylation;R2>
CC01906CelecoxibRzekvgvhfleqil uhfffaoysa n
  • <26,H;Hydroxylation;R1>
  • Not Available
  • Not Available
  • Not Available
  • <26,H;Hydroxylation;R1>
  • <26,H;Hydroxylation;R1>
  • <26,H;Hydroxylation;R1>
  • <26,H;Hydroxylation;R1>
  • <26,H;Hydroxylation;R1>
CC01907ChlorpromazineZpeimtdsqakgnt uhfffaoysa n
  • <21,H;Hydroxylation;R1>
  • <17,4;Cleavage;R2>
  • <17,H;Oxidation;R2>
  • <16,4;Cleavage;R3>
  • <16,H;Oxidation;R3>
  • <2,S;S-Oxidation;R4>
  • (show allshow less)
  • Not Available
  • <2,S;S-Oxidation;R1>
  • Not Available
  • <2,S;S-Oxidation;R1>
  • Not Available
  • <21,H;Hydroxylation;R1>
  • <17,4;Cleavage;R2>
  • <17,H;Oxidation;R2>
  • <16,4;Cleavage;R3>
  • <16,H;Oxidation;R3>
  • Not Available
  • <2,S;S-Oxidation;R1>
CC01908ChlorpropamideRkwgiwycvpqpmf uhfffaoysa n
  • <4,H;Hydroxylation;R1>
  • <3,H;Hydroxylation;R2>
  • <4,H;Hydroxylation;R1>
  • <3,H;Hydroxylation;R2>
  • Not Available
  • <4,H;Hydroxylation;R1>
  • <3,H;Hydroxylation;R2>
  • <4,H;Hydroxylation;R1>
  • <3,H;Hydroxylation;R2>
  • <4,H;Hydroxylation;R1>
  • <3,H;Hydroxylation;R2>
  • <4,H;Hydroxylation;R1>
  • <3,H;Hydroxylation;R2>
  • <4,H;Hydroxylation;R1>
  • <3,H;Hydroxylation;R2>
  • <4,H;Hydroxylation;R1>
  • <3,H;Hydroxylation;R2>
CC01909ChlorpyrifosSbpbaqfwlviokp uhfffaoysa n
  • <1,5;Desulfuration;R1>
  • <1,2;Cleavage;R2>
  • Not Available
  • <1,5;Desulfuration;R1>
  • <1,2;Cleavage;R2>
  • <1,5;Desulfuration;R1>
  • <1,2;Cleavage;R2>
  • <1,5;Desulfuration;R1>
  • <1,2;Cleavage;R2>
  • <1,5;Desulfuration;R1>
  • <1,2;Cleavage;R2>
  • <1,5;Desulfuration;R1>
  • <1,2;Cleavage;R2>
  • Not Available
  • <1,5;Desulfuration;R1>
  • <1,2;Cleavage;R2>
CC01910ChlorzoxazoneTzfwdzfkrbeliq uhfffaoysa n
  • <3,H;Hydroxylation;R1>
  • <3,H;Hydroxylation;R1>
  • <3,H;Hydroxylation;R1>
  • Not Available
  • <3,H;Hydroxylation;R1>
  • <3,H;Hydroxylation;R1>
  • <3,H;Hydroxylation;R1>
  • <3,H;Hydroxylation;R1>
  • <3,H;Hydroxylation;R1>
CC01911CilostazolRrguktpigviekm uhfffaoysa n
  • <14,H;Hydroxylation;R1>
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <27,H;Hydroxylation;R1>
  • <14,H;Hydroxylation;R1>
  • Not Available
  • <27,H;Hydroxylation;R1>
  • <14,H;Hydroxylation;R2>
CC01912CinnarizineDerzblkqocdddz jlhyyagusa n
  • <4,5;Cleavage;R1>
  • <4,H;Oxidation;R1>
  • <14,13;Cleavage;R2>
  • <14,H;Oxidation;R2>
  • <4,5;Cleavage;R1>
  • <4,H;Oxidation;R1>
  • <21,H;Hydroxylation;R1>
  • <26,H;Hydroxylation;R2>
  • Not Available
  • <4,5;Cleavage;R1>
  • <4,H;Oxidation;R1>
  • <14,13;Cleavage;R2>
  • <14,H;Oxidation;R2>
  • Not Available
  • <8,H;Hydroxylation;R1>
  • Not Available
  • Not Available
CC01913ClobazamCxoxhmzgekvpmt uhfffaoysa n
  • <15,7;Cleavage;R1>
  • <15,H;Oxidation;R1>
  • Not Available
  • <15,7;Cleavage;R1>
  • <15,H;Oxidation;R1>
  • <15,7;Cleavage;R1>
  • <15,H;Oxidation;R1>
  • <15,7;Cleavage;R1>
  • <15,H;Oxidation;R1>
  • <21,H;Oxidation;R2>
  • <15,7;Cleavage;R1>
  • <15,H;Oxidation;R1>
  • <21,H;Oxidation;R2>
  • <15,7;Cleavage;R1>
  • <15,H;Oxidation;R1>
  • Not Available
  • <15,7;Cleavage;R1>
  • <15,H;Oxidation;R1>
CC01914ClomipramineGdligkioyrnhda uhfffaoysa n
  • <21,19;Cleavage;R1>
  • <21,H;Oxidation;R1>
  • <20,19;Cleavage;R2>
  • <20,H;Oxidation;R2>
  • <2,H;Hydroxylation;R3>
  • Not Available
  • Not Available
  • <21,19;Cleavage;R1>
  • <21,H;Oxidation;R1>
  • <20,19;Cleavage;R2>
  • <20,H;Oxidation;R2>
  • <2,H;Hydroxylation;R1>
  • <21,19;Cleavage;R1>
  • <21,H;Oxidation;R1>
  • <20,19;Cleavage;R2>
  • <20,H;Oxidation;R2>
  • <21,19;Cleavage;R1>
  • <21,H;Oxidation;R1>
  • <20,19;Cleavage;R2>
  • <20,H;Oxidation;R2>
  • <2,H;Hydroxylation;R3>
  • <11,H;Hydroxylation;R4>
  • (show allshow less)
  • Not Available
  • <21,19;Cleavage;R1>
  • <21,H;Oxidation;R1>
  • <20,19;Cleavage;R2>
  • <20,H;Oxidation;R2>
CC01915ClopidogrelGktwggqpfaxnfi oahllokosa n
  • <3,H;Oxidation;R1>
  • <3,2;Reduction;R1>
  • <2,1;Oxidation;R1>
  • <1,5;Reduction;R1>
  • Not Available
  • <3,H;Oxidation;R1>
  • <3,2;Reduction;R1>
  • <2,1;Oxidation;R1>
  • <1,5;Reduction;R1>
  • <3,H;Oxidation;R1>
  • <3,2;Reduction;R1>
  • <2,1;Oxidation;R1>
  • <1,5;Reduction;R1>
  • <3,H;Oxidation;R1>
  • <3,2;Reduction;R1>
  • <2,1;Oxidation;R1>
  • <1,5;Reduction;R1>
  • <3,H;Oxidation;R1>
  • <3,2;Reduction;R1>
  • <2,1;Oxidation;R1>
  • <1,5;Reduction;R1>
  • <3,H;Oxidation;R1>
  • <3,2;Reduction;R1>
  • <2,1;Oxidation;R1>
  • <1,5;Reduction;R1>
  • Not Available
  • Not Available
CC01916ClotiazepamChbrhodlkozepz uhfffaoysa n
  • <19,H;Hydroxylation;R1>
  • <12,11;Cleavage;R2>
  • <12,H;Oxidation;R2>
  • Not Available
  • <19,H;Hydroxylation;R1>
  • <12,11;Cleavage;R2>
  • <12,H;Oxidation;R2>
  • Not Available
  • Not Available
  • <19,H;Hydroxylation;R1>
  • <12,11;Cleavage;R2>
  • <12,H;Oxidation;R2>
  • <19,H;Hydroxylation;R1>
  • <12,11;Cleavage;R2>
  • <12,H;Oxidation;R2>
  • Not Available
  • <19,H;Hydroxylation;R1>
  • <12,11;Cleavage;R2>
  • <12,H;Oxidation;R2>
CC01917ClozapineQzudbnbuxvuhmw uhfffaoysa n
  • <22,19;Cleavage;R1>
  • <22,H;Oxidation;R1>
  • <19,N;N-Oxidation;R2>
  • Not Available
  • Not Available
  • <22,19;Cleavage;R1>
  • <22,H;Oxidation;R1>
  • <19,N;N-Oxidation;R2>
  • <22,19;Cleavage;R1>
  • <22,H;Oxidation;R1>
  • <22,19;Cleavage;R1>
  • <22,H;Oxidation;R1>
  • <19,N;N-Oxidation;R2>
  • <22,19;Cleavage;R1>
  • <22,H;Oxidation;R1>
  • <19,N;N-Oxidation;R2>
  • <22,19;Cleavage;R1>
  • <22,H;Oxidation;R1>
  • <22,19;Cleavage;R1>
  • <22,H;Oxidation;R1>
  • <19,N;N-Oxidation;R2>
CC01918CoumarinZyghjzdhtfuprj uhfffaoysa n
  • <7,8;EpOxidation;R1>
  • <3,H;Hydroxylation;R1>
  • <3,H;Hydroxylation;R1>
  • <3,H;Hydroxylation;R1>
  • Not Available
  • Not Available
  • Not Available
  • <7,8;EpOxidation;R1>
  • <7,8;EpOxidation;R1>
  • <8,H;Hydroxylation;R2>
CC01919CurcuminVfldpwhfbuoddf fcxrpnkrsa n
  • <26,22;Cleavage;R1>
  • <26,H;Oxidation;R1>
  • <27,23;Cleavage;R2>
  • <27,H;Oxidation;R2>
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <26,22;Cleavage;R1>
  • <26,H;Oxidation;R1>
  • <27,23;Cleavage;R2>
  • <27,H;Oxidation;R2>
  • Not Available
  • Not Available
CC01920CyamemazineSlfgioiongjgrt cqszacivsa n
  • <11,S;S-Oxidation;R1>
  • <22,21;Cleavage;R2>
  • <22,H;Oxidation;R2>
  • <23,21;Cleavage;R3>
  • <23,H;Oxidation;R3>
  • Not Available
  • <22,21;Cleavage;R1>
  • <22,H;Oxidation;R1>
  • <23,21;Cleavage;R2>
  • <23,H;Oxidation;R2>
  • <11,S;S-Oxidation;R1>
  • <22,21;Cleavage;R2>
  • <22,H;Oxidation;R2>
  • <23,21;Cleavage;R3>
  • <23,H;Oxidation;R3>
  • <11,S;S-Oxidation;R1>
  • <6,H;Hydroxylation;R2>
  • <7,H;Hydroxylation;R3>
  • <8,H;Hydroxylation;R4>
  • <9,H;Hydroxylation;R5>
  • <11,S;S-Oxidation;R1>
  • <22,21;Cleavage;R2>
  • <22,H;Oxidation;R2>
  • <23,21;Cleavage;R3>
  • <23,H;Oxidation;R3>
  • <11,S;S-Oxidation;R1>
  • <6,H;Hydroxylation;R2>
  • <7,H;Hydroxylation;R3>
  • <8,H;Hydroxylation;R4>
  • <9,H;Hydroxylation;R5>
  • Not Available
  • <22,21;Cleavage;R1>
  • <22,H;Oxidation;R1>
  • <23,21;Cleavage;R2>
  • <23,H;Oxidation;R2>
  • <11,S;S-Oxidation;R3>
  • <6,H;Hydroxylation;R4>
  • <7,H;Hydroxylation;R5>
  • <8,H;Hydroxylation;R6>
  • <9,H;Hydroxylation;R7>
  • (show allshow less)
CC01921CyclobenzaprineJurknvyfzmsnlp uhfffaoysa n
  • <21,19;Cleavage;R1>
  • <21,H;Oxidation;R1>
  • <20,19;Cleavage;R2>
  • <20,H;Oxidation;R2>
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <21,19;Cleavage;R1>
  • <21,H;Oxidation;R1>
  • <20,19;Cleavage;R2>
  • <20,H;Oxidation;R2>
CC01922CyclohexyllineGzdfooafmqsyov uhfffaoysa n
  • <19,H;Hydroxylation;R1>
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
CC01923CyclophosphamideCmsmoczeivjldb cqszacivsa n
  • <10,H;Hydroxylation;R1>
  • <6,3;Cleavage;R2>
  • <6,H;Oxidation;R2>
  • <7,3;Cleavage;R3>
  • <7,H;Oxidation;R3>
  • <10,H;Hydroxylation;R1>
  • <10,H;Hydroxylation;R1>
  • <10,H;Hydroxylation;R1>
  • <10,H;Hydroxylation;R1>
  • <10,H;Hydroxylation;R1>
  • Not Available
  • Not Available
  • <10,H;Hydroxylation;R1>
  • <6,3;Cleavage;R2>
  • <6,H;Oxidation;R2>
  • <7,3;Cleavage;R3>
  • <7,H;Oxidation;R3>
CC01924DacarbazineOmjkfyknwzzktk pohahgresa n
  • <12,11;Cleavage;R1>
  • <12,H;Oxidation;R1>
  • <13,11;Cleavage;R2>
  • <13,H;Oxidation;R2>
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <12,11;Cleavage;R1>
  • <12,H;Oxidation;R1>
  • <13,11;Cleavage;R2>
  • <13,H;Oxidation;R2>
  • Not Available
CC01925DDBJmzomfyradawog uhfffaoysa n
  • <22,21;Cleavage;R1>
  • <22,H;Oxidation;R1>
  • <20,19;Cleavage;R2>
  • <20,H;Oxidation;R2>
  • Not Available
  • Not Available
  • Not Available
  • <17,18;Cleavage;R1>
  • <17,16;Cleavage;R1>
  • <17,H;Oxidation;R1>
  • <14,13;Cleavage;R2>
  • <14,15;Cleavage;R2>
  • <14,H;Oxidation;R2>
  • (show allshow less)
  • Not Available
  • Not Available
  • Not Available
  • <17,18;Cleavage;R1>
  • <17,16;Cleavage;R1>
  • <17,H;Oxidation;R1>
  • <14,13;Cleavage;R2>
  • <14,15;Cleavage;R2>
  • <14,H;Oxidation;R2>
  • (show allshow less)
Displaying compounds 101 - 125 of 679 in total