Browsing CypCompounds in CypBoM Training Set

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

Displaying compounds 426 - 450 of 679 in total
CypComp ID Name Structure ImageCYP1A2CYP2A6CYP2B6CYP2C8CYP2C9CYP2C19CYP2D6CYP2E1CYP3A4
CC02054TheophyllineZfxyfbgiufbojw uhfffaoysa n
  • <9,8;Cleavage;R1>
  • <9,H;Oxidation;R1>
  • <5,4;Cleavage;R2>
  • <5,H;Oxidation;R2>
  • <12,H;Hydroxylation;R3>
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <9,8;Cleavage;R1>
  • <9,H;Oxidation;R1>
  • <5,4;Cleavage;R2>
  • <5,H;Oxidation;R2>
  • <12,H;Hydroxylation;R3>
  • <12,H;Hydroxylation;R1>
  • Not Available
CC02053TheobromineYapqbxqyljrxsa uhfffaoysa n
  • <12,4;Cleavage;R1>
  • <12,H;Oxidation;R1>
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <12,4;Cleavage;R1>
  • <12,H;Oxidation;R1>
  • <13,3;Cleavage;R2>
  • <13,H;Oxidation;R2>
  • <11,H;Hydroxylation;R3>
  • Not Available
CC02052TerbutryneIroinlkcqgiita uhfffaoysa n
  • <8,H;Hydroxylation;R1>
  • <14,S;S-Oxidation;R2>
  • <12,H;Hydroxylation;R3>
  • <13,H;Hydroxylation;R4>
  • <15,H;Hydroxylation;R5>
  • Not Available
  • <8,H;Hydroxylation;R1>
  • <14,S;S-Oxidation;R2>
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <8,H;Hydroxylation;R1>
  • <14,S;S-Oxidation;R2>
CC02051TerbuthylazineFzxisnswextpmf uhfffaoysa n
  • <8,H;Hydroxylation;R1>
  • <8,7;Cleavage;R1>
  • <12,H;Hydroxylation;R2>
  • <15,H;Hydroxylation;R3>
  • <13,H;Hydroxylation;R4>
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <8,H;Hydroxylation;R1>
  • <8,7;Cleavage;R1>
CC02050TerbinafineDomxuemwdbaqbq wevvvxlnsa n
  • <1,2;EpOxidation;R1>
  • <7,8;EpOxidation;R2>
  • <20,H;Hydroxylation;R3>
  • <21,H;Hydroxylation;R4>
  • <22,H;Hydroxylation;R5>
  • <13,12;Cleavage;R6>
  • <13,H;Oxidation;R6>
  • <11,12;Cleavage;R7>
  • <11,H;Oxidation;R7>
  • (show allshow less)
  • Not Available
  • <20,H;Hydroxylation;R1>
  • <21,H;Hydroxylation;R2>
  • <22,H;Hydroxylation;R3>
  • <13,12;Cleavage;R4>
  • <13,H;Oxidation;R4>
  • <20,H;Hydroxylation;R1>
  • <21,H;Hydroxylation;R2>
  • <22,H;Hydroxylation;R3>
  • <13,12;Cleavage;R4>
  • <13,H;Oxidation;R4>
  • <11,12;Cleavage;R5>
  • <11,H;Oxidation;R5>
  • (show allshow less)
  • <1,2;EpOxidation;R1>
  • <7,8;EpOxidation;R2>
  • <20,H;Hydroxylation;R3>
  • <21,H;Hydroxylation;R4>
  • <22,H;Hydroxylation;R5>
  • <13,12;Cleavage;R6>
  • <13,H;Oxidation;R6>
  • <11,12;Cleavage;R7>
  • <11,H;Oxidation;R7>
  • (show allshow less)
  • <20,H;Hydroxylation;R1>
  • <21,H;Hydroxylation;R2>
  • <22,H;Hydroxylation;R3>
  • <13,12;Cleavage;R4>
  • <13,H;Oxidation;R4>
  • <11,12;Cleavage;R5>
  • <11,H;Oxidation;R5>
  • (show allshow less)
  • Not Available
  • Not Available
  • <13,12;Cleavage;R1>
  • <13,H;Oxidation;R1>
  • <11,12;Cleavage;R2>
  • <11,H;Oxidation;R2>
CC02049TegaserodIkbkzgmpcynslu rgvlzgjssa n
  • <14,12;Cleavage;R1>
  • <14,H;Oxidation;R1>
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <14,12;Cleavage;R1>
  • <14,H;Oxidation;R1>
  • Not Available
  • Not Available
CC02048TegafurWfwlqnshrpwkfk lurjtmiesa n
  • <7,5;Cleavage;R1>
  • <7,H;Oxidation;R1>
  • <7,5;Cleavage;R1>
  • <7,H;Oxidation;R1>
  • <7,5;Cleavage;R1>
  • <7,H;Oxidation;R1>
  • <7,5;Cleavage;R1>
  • <7,H;Oxidation;R1>
  • <7,5;Cleavage;R1>
  • <7,H;Oxidation;R1>
  • <7,5;Cleavage;R1>
  • <7,H;Oxidation;R1>
  • <7,5;Cleavage;R1>
  • <7,H;Oxidation;R1>
  • <7,5;Cleavage;R1>
  • <7,H;Oxidation;R1>
  • <7,5;Cleavage;R1>
  • <7,H;Oxidation;R1>
CC02047TauromustineRcllnbvpcjdipx uhfffaoysa n
  • <16,13;Cleavage;R1>
  • <16,H;Oxidation;R1>
  • <17,13;Cleavage;R2>
  • <17,H;Oxidation;R2>
  • <4,1;Denitrosation;R3>
  • <4,N;N-Oxidation;R3>
  • (show allshow less)
  • Not Available
  • Not Available
  • Not Available
  • <16,13;Cleavage;R1>
  • <16,H;Oxidation;R1>
  • <17,13;Cleavage;R2>
  • <17,H;Oxidation;R2>
  • <4,1;Denitrosation;R3>
  • <4,N;N-Oxidation;R3>
  • (show allshow less)
  • <16,13;Cleavage;R1>
  • <16,H;Oxidation;R1>
  • <17,13;Cleavage;R2>
  • <17,H;Oxidation;R2>
  • <4,1;Denitrosation;R3>
  • <4,N;N-Oxidation;R3>
  • (show allshow less)
  • <16,13;Cleavage;R1>
  • <16,H;Oxidation;R1>
  • <17,13;Cleavage;R2>
  • <17,H;Oxidation;R2>
  • <4,1;Denitrosation;R3>
  • <4,N;N-Oxidation;R3>
  • (show allshow less)
  • Not Available
  • <16,13;Cleavage;R1>
  • <16,H;Oxidation;R1>
  • <17,13;Cleavage;R2>
  • <17,H;Oxidation;R2>
  • <4,1;Denitrosation;R3>
  • <4,N;N-Oxidation;R3>
  • (show allshow less)
CC02046Tangeretin-T27Iecrxmsgdfioey uhfffaoysa n
  • <23,H;Hydroxylation;R1>
  • <24,H;Hydroxylation;R2>
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <23,H;Hydroxylation;R1>
  • <24,H;Hydroxylation;R2>
CC02045TangeretinUlsuxbxhsysgdt uhfffaoysa n
  • <27,26;Cleavage;R1>
  • <27,H;Oxidation;R1>
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <27,26;Cleavage;R1>
  • <27,H;Oxidation;R1>
  • Not Available
  • <27,26;Cleavage;R1>
  • <27,H;Oxidation;R1>
  • <20,15;Cleavage;R2>
  • <20,H;Oxidation;R2>
  • <19,14;Cleavage;R2>
  • <19,H;Oxidation;R2>
  • (show allshow less)
CC02044TamoxifenNkanxqfjjicgdu qplcgjkrsa n
  • <27,26;Cleavage;R1>
  • <27,H;Oxidation;R1>
  • <28,26;Cleavage;R2>
  • <28,H;Oxidation;R2>
  • Not Available
  • <22,H;Hydroxylation;R1>
  • <21,H;Hydroxylation;R2>
  • <27,26;Cleavage;R1>
  • <27,H;Oxidation;R1>
  • <28,26;Cleavage;R2>
  • <28,H;Oxidation;R2>
  • <27,26;Cleavage;R1>
  • <27,H;Oxidation;R1>
  • <28,26;Cleavage;R2>
  • <28,H;Oxidation;R2>
  • <27,26;Cleavage;R1>
  • <27,H;Oxidation;R1>
  • <28,26;Cleavage;R2>
  • <28,H;Oxidation;R2>
  • <21,H;Hydroxylation;R3>
  • <27,26;Cleavage;R1>
  • <27,H;Oxidation;R1>
  • <28,26;Cleavage;R2>
  • <28,H;Oxidation;R2>
  • <21,H;Hydroxylation;R3>
  • <22,H;Hydroxylation;R4>
  • <6,H;Hydroxylation;R5>
  • (show allshow less)
  • <27,26;Cleavage;R1>
  • <27,H;Oxidation;R1>
  • <28,26;Cleavage;R2>
  • <28,H;Oxidation;R2>
  • <21,H;Hydroxylation;R3>
  • <27,26;Cleavage;R1>
  • <27,H;Oxidation;R1>
  • <28,26;Cleavage;R2>
  • <28,H;Oxidation;R2>
  • <21,H;Hydroxylation;R3>
  • <22,H;Hydroxylation;R4>
  • <6,H;Hydroxylation;R5>
  • (show allshow less)
CC02043TamarixetinFplmipqzhhqwhn uhfffaoysa n
  • <23,22;Cleavage;R1>
  • <23,H;Oxidation;R1>
  • Not Available
  • Not Available
  • Not Available
  • <23,22;Cleavage;R1>
  • <23,H;Oxidation;R1>
  • Not Available
  • Not Available
  • Not Available
  • <23,22;Cleavage;R1>
  • <23,H;Oxidation;R1>
CC02042TacrineYljrefdvoibqda uhfffaoysa n
  • <4,H;Hydroxylation;R1>
  • <14,H;Hydroxylation;R2>
  • <7,H;Hydroxylation;R3>
  • <3,H;Hydroxylation;R4>
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
CC02041StyrenePpbrxryqalvlmv uhfffaoysa n
  • <3,4;EpOxidation;R1>
  • <3,4;EpOxidation;R1>
  • <3,4;EpOxidation;R1>
  • <3,4;EpOxidation;R1>
  • <3,4;EpOxidation;R1>
  • Not Available
  • <3,4;EpOxidation;R1>
  • <3,4;EpOxidation;R1>
  • <3,4;EpOxidation;R1>
CC02040SertralineVgkdlmbjgbxtgi sjcjkpomsa n
  • <20,17;Cleavage;R1>
  • <20,H;Oxidation;R1>
  • <20,17;Cleavage;R1>
  • <20,H;Oxidation;R1>
  • <20,17;Cleavage;R1>
  • <20,H;Oxidation;R1>
  • <20,17;Cleavage;R1>
  • <20,H;Oxidation;R1>
  • <20,17;Cleavage;R1>
  • <20,H;Oxidation;R1>
  • <20,17;Cleavage;R1>
  • <20,H;Oxidation;R1>
  • <8,17;Cleavage;R2>
  • <8,H;Oxidation;R2>
  • <20,17;Cleavage;R1>
  • <20,H;Oxidation;R1>
  • <20,17;Cleavage;R1>
  • <20,H;Oxidation;R1>
  • <20,17;Cleavage;R1>
  • <20,H;Oxidation;R1>
  • <8,17;Cleavage;R2>
  • <8,H;Oxidation;R2>
CC02039SelegilineMezlkoacvspner gfccvegcsa n
  • <11,9;Cleavage;R1>
  • <11,H;Oxidation;R1>
  • <14,9;Cleavage;R2>
  • <14,H;Oxidation;R2>
  • <11,9;Cleavage;R1>
  • <11,H;Oxidation;R1>
  • <14,9;Cleavage;R2>
  • <14,H;Oxidation;R2>
  • <11,9;Cleavage;R1>
  • <11,H;Oxidation;R1>
  • <14,9;Cleavage;R2>
  • <14,H;Oxidation;R2>
  • Not Available
  • <11,9;Cleavage;R1>
  • <11,H;Oxidation;R1>
  • <11,9;Cleavage;R1>
  • <11,H;Oxidation;R1>
  • <14,9;Cleavage;R2>
  • <14,H;Oxidation;R2>
  • <11,9;Cleavage;R1>
  • <11,H;Oxidation;R1>
  • <14,9;Cleavage;R2>
  • <14,H;Oxidation;R2>
  • <11,9;Cleavage;R1>
  • <11,H;Oxidation;R1>
  • <11,9;Cleavage;R1>
  • <11,H;Oxidation;R1>
  • <14,9;Cleavage;R2>
  • <14,H;Oxidation;R2>
CC02038RutaecarpineAcvgwskvryfwrp uhfffaoysa n
  • <22,H;Hydroxylation;R1>
  • <13,H;Hydroxylation;R2>
  • <14,H;Hydroxylation;R3>
  • <19,H;Hydroxylation;R4>
  • Not Available
  • Not Available
  • Not Available
  • <22,H;Hydroxylation;R1>
  • <13,H;Hydroxylation;R2>
  • <18,H;Hydroxylation;R3>
  • <14,H;Hydroxylation;R4>
  • <19,H;Hydroxylation;R5>
  • Not Available
  • <22,H;Hydroxylation;R1>
  • <13,H;Hydroxylation;R2>
  • <18,H;Hydroxylation;R3>
  • <19,H;Hydroxylation;R4>
  • Not Available
  • <22,H;Hydroxylation;R1>
  • <13,H;Hydroxylation;R2>
  • <18,H;Hydroxylation;R3>
  • <14,H;Hydroxylation;R4>
  • <19,H;Hydroxylation;R5>
CC02037RosiglitazoneYasakcucglmorw hnnxbmfysa n
  • <23,9;Cleavage;R1>
  • <23,H;Oxidation;R1>
  • <25,H;Hydroxylation;R2>
  • <21,H;Hydroxylation;R3>
  • Not Available
  • Not Available
  • <23,9;Cleavage;R1>
  • <23,H;Oxidation;R1>
  • <25,H;Hydroxylation;R2>
  • <23,9;Cleavage;R1>
  • <23,H;Oxidation;R1>
  • <25,H;Hydroxylation;R2>
  • Not Available
  • <23,9;Cleavage;R1>
  • <23,H;Oxidation;R1>
  • <25,H;Hydroxylation;R2>
  • <23,9;Cleavage;R1>
  • <23,H;Oxidation;R1>
  • <25,H;Hydroxylation;R2>
  • <23,9;Cleavage;R1>
  • <23,H;Oxidation;R1>
CC02036RopivacaineZkmnummkybvtfn hnnxbmfysa n
  • <4,H;Hydroxylation;R1>
  • <6,H;Hydroxylation;R2>
  • Not Available
  • <5,H;Hydroxylation;R1>
  • Not Available
  • Not Available
  • Not Available
  • <5,H;Hydroxylation;R1>
  • Not Available
  • <18,13;Cleavage;R1>
  • <18,H;Oxidation;R1>
  • <5,H;Hydroxylation;R2>
  • <8,H;Hydroxylation;R3>
  • <9,H;Hydroxylation;R4>
CC02035RopiniroleUhskfqjfrqcdbe uhfffaoysa n
  • <12,11;Cleavage;R1>
  • <12,H;Oxidation;R1>
  • <13,11;Cleavage;R2>
  • <13,H;Oxidation;R2>
  • <5,H;Hydroxylation;R3>
  • Not Available
  • 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>
  • <5,H;Hydroxylation;R3>
CC02034RiluzoleFtalbrsutcgoeg uhfffaoysa n
  • <7,H;Hydroxylation;R1>
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
CC02033Reduced diclofenacNfwjeebvqamwhk uhfffaoysa n
  • <13,H;Hydroxylation;R1>
  • Not Available
  • Not Available
  • <13,H;Hydroxylation;R1>
  • <13,H;Hydroxylation;R1>
  • <13,H;Hydroxylation;R1>
  • <13,H;Hydroxylation;R1>
  • Not Available
  • <13,H;Hydroxylation;R1>
CC02032RanitidineVmxuwoksqnhoca ukthltgxsa n
  • <9,7;Cleavage;R1>
  • <9,H;Oxidation;R1>
  • <10,7;Cleavage;R2>
  • <10,H;Oxidation;R2>
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <9,7;Cleavage;R1>
  • <9,H;Oxidation;R1>
  • <10,7;Cleavage;R2>
  • <10,H;Oxidation;R2>
  • <9,7;Cleavage;R1>
  • <9,H;Oxidation;R1>
  • <10,7;Cleavage;R2>
  • <10,H;Oxidation;R2>
  • Not Available
  • Not Available
CC02031Rabeprazole-thioetherBsxahdowmosvap uhfffaoysa n
  • <22,18;Cleavage;R1>
  • <22,H;Oxidation;R1>
  • <4,S;S-Oxidation;R2>
  • <22,18;Cleavage;R1>
  • <22,H;Oxidation;R1>
  • <4,S;S-Oxidation;R2>
  • <22,18;Cleavage;R1>
  • <22,H;Oxidation;R1>
  • Not Available
  • <22,18;Cleavage;R1>
  • <22,H;Oxidation;R1>
  • <4,S;S-Oxidation;R2>
  • <22,18;Cleavage;R1>
  • <22,H;Oxidation;R1>
  • <4,S;S-Oxidation;R2>
  • <22,18;Cleavage;R1>
  • <22,H;Oxidation;R1>
  • <4,S;S-Oxidation;R2>
  • <22,18;Cleavage;R1>
  • <22,H;Oxidation;R1>
  • <4,S;S-Oxidation;R2>
  • <22,18;Cleavage;R1>
  • <22,H;Oxidation;R1>
  • <4,S;S-Oxidation;R2>
CC02030QuinolineSmwdfezzvxvkrb uhfffaoysa n
  • <4,8;EpOxidation;R1>
  • <7,H;Hydroxylation;R2>
  • <6,N;N-Oxidation;R3>
  • <4,8;EpOxidation;R1>
  • <7,H;Hydroxylation;R2>
  • <6,N;N-Oxidation;R3>
  • <4,8;EpOxidation;R1>
  • Not Available
  • Not Available
  • Not Available
  • <4,8;EpOxidation;R1>
  • <4,8;EpOxidation;R1>
  • <7,H;Hydroxylation;R2>
  • <6,N;N-Oxidation;R3>
  • <4,8;EpOxidation;R1>
  • <7,H;Hydroxylation;R2>
  • <6,N;N-Oxidation;R3>
  • <5,H;Hydroxylation;R4>
Displaying compounds 426 - 450 of 679 in total