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CKC
CKC
Name:(3S)-3,7-diaminoheptan-2-one
Formula:C7 H16 N2 O
SMILES:O=C(C)C(N)CCCCN
InChi:InChI=1S/C7H16N2O/c1-6(10)7(9)4-2-3-5-8/h7H,2-5,8-9H2,1H3/t7-/m0/s1
Definition date:2014-09-15
Last modified:2024-09-27
Release date:2014-10-08
Identifier:(3S)-3,7-diaminoheptan-2-one
CKF
CKF
Name:3-[[5-(cyclopenten-1-yl)-2-(methylcarbamoyl)phenyl]sulfamoyl]benzenesulfonic acid
Formula:C19 H20 N2 O6 S2
SMILES:CNC(=O)c1ccc(cc1N[S](=O)(=O)c2cccc(c2)[S](O)(=O)=O)C3=CCCC3
InChi:InChI=1S/C19H20N2O6S2/c1-20-19(22)17-10-9-14(13-5-2-3-6-13)11-18(17)21-28(23,24)15-7-4-8-16(12-15)29(25,26)27/h4-5,7-12,21H,2-3,6H2,1H3,(H,20,22)(H,25,26,27)
Definition date:2022-04-04
Last modified:2024-09-27
Release date:2023-09-27
Identifier:3-[[5-(cyclopenten-1-yl)-2-(methylcarbamoyl)phenyl]sulfamoyl]benzenesulfonic acid
CLR
CLR
Name:CHOLESTEROL
Formula:C27 H46 O
SMILES:OC4CCC3(C(=CCC2C1C(C(C(C)CCCC(C)C)CC1)(C)CCC23)C4)C
InChi:InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
Definition date:2002-05-16
Last modified:2024-09-27
Identifier:(3beta,14beta,17alpha)-cholest-5-en-3-ol
CLV
CLV
Name:{(2S)-2-[(1S)-1-AMINOETHYL]-5-OXO-2,5-DIHYDRO-1H-IMIDAZOL-1-YL}ACETIC ACID
Formula:C7 H11 N3 O3
SMILES:O=C1C=NC(N1CC(=O)O)C(N)C
InChi:InChI=1S/C7H11N3O3/c1-4(8)7-9-2-5(11)10(7)3-6(12)13/h2,4,7H,3,8H2,1H3,(H,12,13)/t4-,7-/m0/s1
Synonyms:CHROMOPHORE (ALA-PHE-GLY)
Definition date:2007-03-22
Last modified:2024-09-27
Identifier:{(2S)-2-[(1S)-1-aminoethyl]-5-oxo-2,5-dihydro-1H-imidazol-1-yl}acetic acid
CMC
CMC
Name:CARBOXYMETHYL COENZYME *A
Formula:C23 H38 N7 O18 P3 S
SMILES:O=C(O)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O
InChi:InChI=1S/C23H38N7O18P3S/c1-23(2,18(35)21(36)26-4-3-13(31)25-5-6-52-8-14(32)33)9-45-51(42,43)48-50(40,41)44-7-12-17(47-49(37,38)39)16(34)22(46-12)30-11-29-15-19(24)27-10-28-20(15)30/h10-12,16-18,22,34-35H,3-9H2,1-2H3,(H,25,31)(H,26,36)(H,32,33)(H,40,41)(H,42,43)(H2,24,27,28)(H2,37,38,39)/t12-,16-,17-,18+,22-/m1/s1
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:(3S,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14-dioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphaicosan-20-oic acid 3,5-dioxide (non-preferred name)
CML
CML
Name:(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acid
Formula:C7 H11 N O6 S
SMILES:O=C(O)C(N)CSC(C(=O)O)CC(=O)O
InChi:InChI=1S/C7H11NO6S/c8-3(6(11)12)2-15-4(7(13)14)1-5(9)10/h3-4H,1-2,8H2,(H,9,10)(H,11,12)(H,13,14)/t3-,4-/m0/s1
Definition date:2007-10-11
Last modified:2024-09-27
Identifier:(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acid
CMV
CMV
Name:(2R,4S)-2-[(1R)-1-({(2R)-2-[(4-ethyl-2,3-dioxopiperazin-1-yl)amino]-2-phenylacetyl}amino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Formula:C22 H29 N5 O6 S
SMILES:O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)C(c2ccccc2)NN3C(=O)C(=O)N(CC)CC3
InChi:InChI=1S/C22H29N5O6S/c1-4-26-10-11-27(20(31)19(26)30)25-15(13-8-6-5-7-9-13)17(29)23-14(12-28)18-24-16(21(32)33)22(2,3)34-18/h5-9,12,14-16,18,24-25H,4,10-11H2,1-3H3,(H,23,29)(H,32,33)/t14-,15-,16+,18-/m1/s1
Definition date:2009-07-02
Last modified:2024-09-27
Identifier:(2R,4S)-2-[(1R)-1-({(2R)-2-[(4-ethyl-2,3-dioxopiperazin-1-yl)amino]-2-phenylacetyl}amino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
CNC
CNC
Name:CYANOCOBALAMIN
Formula:C63 H89 Co N14 O14 P
SMILES:NC(=O)CC1(C)C2=C(C)C=3C(CCC(N)=O)C(C)(CC(N)=O)C4(C)N=3[Co+2]35(C#N)N2=C(C=C2n3c(C(CCC(N)=O)C2(C)C)c(C)c2n5C4C(CC(N)=O)C2(C)CCC(=O)NCC(C)OP(=O)(O)OC2C(CO)OC(n3cnc4cc(C)c(C)cc43)C2O)C1CCC(N)=O
InChi:InChI=1S/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:(cyanido-kappaC)[5-(5,6-dimethyl-1H-benzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl 1-{3-[3,14,19-tris(2-amino-2-oxoethyl)-8,13,18-tris(3-amino-3-oxopropyl)-1,4,6,9,9,14,16,19-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.1~2,5~.1~7,10~.1~12,15~]tricosa-5,7(22),10,12(21),15,17(20)-hexaen-4-yl-kappa~4~N~20~,N~21~,N~22~,N~23~]propanamido}propan-2-yl hydrogenato phosphate]cobalt(2+) (non-preferred name)
CP5
CP5
Name:(2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}-2-PHENYLACRYLATE
Formula:C9 H6 O5 P
SMILES:O=C([O-])C(=C/OP(=O)=O)c1ccccc1
InChi:InChI=1S/C9H7O5P/c10-9(11)8(6-14-15(12)13)7-4-2-1-3-5-7/h1-6H,(H,10,11)/p-1/b8-6-
Definition date:2004-03-03
Last modified:2024-09-27
Identifier:(2Z)-3-{[oxido(oxo)phosphanyl]oxy}-2-phenylprop-2-enoate
CPA
CPA
Name:2'-DEOXYCYTIDINE-2'-DEOXYADENOSINE-3',5'-MONOPHOSPHATE
Formula:C19 H25 N8 O9 P
SMILES:O=C1N=C(N)C=CN1C5OC(CO)C(OP(=O)(O)OCC4OC(n3cnc2c(ncnc23)N)CC4O)C5
InChi:InChI=1S/C19H25N8O9P/c20-13-1-2-26(19(30)25-13)15-4-10(11(5-28)34-15)36-37(31,32)33-6-12-9(29)3-14(35-12)27-8-24-16-17(21)22-7-23-18(16)27/h1-2,7-12,14-15,28-29H,3-6H2,(H,31,32)(H2,20,25,30)(H2,21,22,23)/t9-,10-,11+,12+,14+,15+/m0/s1
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl [(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl]methyl hydrogen (R)-phosphate (non-preferred name)
CPN
CPN
Name:2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-CYTOSINE
Formula:C10 H16 N5 O4
SMILES:O=C(N(CC(=O)O)CC[NH3+])CN1C=CC(=NC1=O)N
InChi:InChI=1S/C10H15N5O4/c11-2-4-14(6-9(17)18)8(16)5-15-3-1-7(12)13-10(15)19/h1,3H,2,4-6,11H2,(H,17,18)(H2,12,13,19)/p+1
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:2-{[(4-amino-2-oxopyrimidin-1(2H)-yl)acetyl](carboxymethyl)amino}ethanaminium
CQ2
CQ2
Name:{(4Z)-4-(4-aminobenzylidene)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Formula:C15 H18 N4 O4
SMILES:O=C1C(N=C(N1CC(=O)O)C(N)C(O)C)=Cc2ccc(N)cc2
InChi:InChI=1S/C15H18N4O4/c1-8(20)13(17)14-18-11(15(23)19(14)7-12(21)22)6-9-2-4-10(16)5-3-9/h2-6,8,13,20H,7,16-17H2,1H3,(H,21,22)/t8-,13+/m1/s1
Synonyms:PEPTIDE DERIVED CHROMOPHORE
Definition date:2013-02-21
Last modified:2024-09-27
Release date:2013-06-26
Identifier:{(4Z)-4-(4-aminobenzylidene)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
CQ3
CQ3
Name:N-[2-[[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]amino]phenyl]propanamide
Formula:C18 H22 Cl N5 O2
SMILES:CCC(=O)Nc1ccccc1Nc2nc(NC3CCOCC3)ncc2Cl
InChi:InChI=1S/C18H22ClN5O2/c1-2-16(25)22-14-5-3-4-6-15(14)23-17-13(19)11-20-18(24-17)21-12-7-9-26-10-8-12/h3-6,11-12H,2,7-10H2,1H3,(H,22,25)(H2,20,21,23,24)
Definition date:2015-04-13
Last modified:2024-09-27
Release date:2015-05-27
Identifier:N-[2-[[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]amino]phenyl]propanamide
CQ6
CQ6
Name:7-ethylsulfonyl-N-(oxan-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine
Formula:C14 H22 N4 O3 S
SMILES:CC[S](=O)(=O)N1CCc2cnc(NC3CCOCC3)nc2C1
InChi:InChI=1S/C14H22N4O3S/c1-2-22(19,20)18-6-3-11-9-15-14(17-13(11)10-18)16-12-4-7-21-8-5-12/h9,12H,2-8,10H2,1H3,(H,15,16,17)
Definition date:2015-04-13
Last modified:2024-09-27
Release date:2015-05-27
Identifier:7-ethylsulfonyl-N-(oxan-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine
CQQ
CQQ
Name:4-{[4-(dimethylamino)butanoyl]amino}-N-(3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide
Formula:C28 H29 N7 O2
SMILES:O=C(Nc1ccc(cc1)C(=O)Nc4cc(Nc2nc(ccn2)c3cccnc3)ccc4)CCCN(C)C
InChi:InChI=1S/C28H29N7O2/c1-35(2)17-5-9-26(36)31-22-12-10-20(11-13-22)27(37)32-23-7-3-8-24(18-23)33-28-30-16-14-25(34-28)21-6-4-15-29-19-21/h3-4,6-8,10-16,18-19H,5,9,17H2,1-2H3,(H,31,36)(H,32,37)(H,30,33,34)
Definition date:2011-12-28
Last modified:2024-09-27
Identifier:4-{[4-(dimethylamino)butanoyl]amino}-N-(3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide
CR2
CR2
Name:{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Formula:C13 H13 N3 O4
SMILES:O=C1C(N=C(N1CC(=O)O)CN)=Cc2ccc(O)cc2
InChi:InChI=1S/C13H13N3O4/c14-6-11-15-10(13(20)16(11)7-12(18)19)5-8-1-3-9(17)4-2-8/h1-5,17H,6-7,14H2,(H,18,19)/b10-5-
Synonyms:CHROMOPHORE (GLY-TYR-GLY)
Definition date:2003-01-03
Last modified:2024-09-27
Identifier:{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
CR8
CR8
Name:2-[1-AMINO-2-(1H-IMIDAZOL-5-YL)ETHYL]-1-(CARBOXYMETHYL)-4-[(4-OXOCYCLOHEXA-2,5-DIEN-1-YLIDENE)METHYL]-1H-IMIDAZOL-5-OLATE
Formula:C17 H16 N5 O4
SMILES:O=C1C=C/C(C=C1)=Cc2nc(n(c2[O-])CC(=O)O)C(N)Cc3cncn3
InChi:InChI=1S/C17H17N5O4/c18-13(6-11-7-19-9-20-11)16-21-14(17(26)22(16)8-15(24)25)5-10-1-3-12(23)4-2-10/h1-5,7,9,13,26H,6,8,18H2,(H,19,20)(H,24,25)/p-1/t13-/m0/s1
Synonyms:CHROMOPHORE (HIS-TYR-GLY)
Definition date:2005-06-14
Last modified:2024-09-27
Identifier:2-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1-(carboxymethyl)-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-1H-imidazol-5-olate
CRJ
CRJ
Name:N-(1-CYANOCYCLOPROPYL)-3-({[(2S)-5-OXOPYRROLIDIN-2-YL]METHYL}SULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-FLUOROPHENYL)ETH YL]-L-ALANINAMIDE
Formula:C20 H22 F4 N4 O4 S
SMILES:O=C3NC(CS(=O)(=O)CC(C(=O)NC1(C#N)CC1)NC(c2ccc(F)cc2)C(F)(F)F)CC3
InChi:InChI=1S/C20H22F4N4O4S/c21-13-3-1-12(2-4-13)17(20(22,23)24)27-15(18(30)28-19(11-25)7-8-19)10-33(31,32)9-14-5-6-16(29)26-14/h1-4,14-15,17,27H,5-10H2,(H,26,29)(H,28,30)/t14-,15-,17-/m0/s1
Synonyms:N-(1-CYANO-CYCLOPROPYL)-3-(5-OXO-PYRROLIDIN-2-YLMETHANESULFONYL)-2-[2,2,2-TR IFLUORO-1-(4-FLUORO-PHENYL)-ETHYLAMINO]-PROPIONAMIDE
Definition date:2006-01-25
Last modified:2024-09-27
Identifier:N-(1-cyanocyclopropyl)-3-({[(2S)-5-oxopyrrolidin-2-yl]methyl}sulfonyl)-N~2~-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-L-alaninamide
CRQ
CRQ
Name:[2-(3-CARBAMOYL-1-IMINO-PROPYL)-4-(4-HYDROXY-BENZYLIDENE)-5-OXO-4,5-DIHYDRO-IMIDAZOL-1-YL]-ACETIC ACID
Formula:C16 H16 N4 O5
SMILES:O=C1C(N=C(C(=[N@H])CCC(=O)N)N1CC(=O)O)=Cc2ccc(O)cc2
InChi:InChI=1S/C16H16N4O5/c17-11(5-6-13(18)22)15-19-12(16(25)20(15)8-14(23)24)7-9-1-3-10(21)4-2-9/h1-4,7,17,21H,5-6,8H2,(H2,18,22)(H,23,24)/b12-7-,17-11+
Synonyms:CHROMOPHORE (GLN-TYR-GLY)
Definition date:2000-10-19
Last modified:2024-09-27
Identifier:[(4Z)-2-[(1E)-4-amino-4-oxobutanimidoyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid
CRU
CRU
Name:4-[(4Z)-1-(CARBOXYMETHYL)-4-(4-HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-2-YL]-4-IMINOBUTANOIC ACID
Formula:C16 H15 N3 O6
SMILES:O=C1C(N=C(C(=[N@H])CCC(=O)O)N1CC(=O)O)=C/c2ccc(O)cc2
InChi:InChI=1S/C16H15N3O6/c17-11(5-6-13(21)22)15-18-12(16(25)19(15)8-14(23)24)7-9-1-3-10(20)4-2-9/h1-4,7,17,20H,5-6,8H2,(H,21,22)(H,23,24)/b12-7+,17-11-
Synonyms:CHROMOPHORE (GLU-TYR-GLY)
Definition date:2005-03-03
Last modified:2024-09-27
Identifier:(4Z)-4-[(4E)-1-(carboxymethyl)-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-2-yl]-4-iminobutanoic acid
CRV
CRV
Name:N-[1-(AMINOMETHYL)CYCLOPROPYL]-3-(BENZYLSULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-HYDROXYPHENYL)ETHYL]-L-ALANINAMIDE
Formula:C22 H26 F3 N3 O4 S
SMILES:O=C(NC1(CN)CC1)C(NC(c2ccc(O)cc2)C(F)(F)F)CS(=O)(=O)Cc3ccccc3
InChi:InChI=1S/C22H26F3N3O4S/c23-22(24,25)19(16-6-8-17(29)9-7-16)27-18(20(30)28-21(14-26)10-11-21)13-33(31,32)12-15-4-2-1-3-5-15/h1-9,18-19,27,29H,10-14,26H2,(H,28,30)/t18-,19-/m0/s1
Definition date:2006-02-08
Last modified:2024-09-27
Identifier:N-[1-(aminomethyl)cyclopropyl]-3-(benzylsulfonyl)-N~2~-[(1S)-2,2,2-trifluoro-1-(4-hydroxyphenyl)ethyl]-L-alaninamide
CS1
CS1
Name:S-(2-ANILINYL-SULFANYL)-CYSTEINE
Formula:C9 H12 N2 O2 S2
SMILES:O=C(O)C(N)CSSc1ccccc1N
InChi:InChI=1S/C9H12N2O2S2/c10-6-3-1-2-4-8(6)15-14-5-7(11)9(12)13/h1-4,7H,5,10-11H2,(H,12,13)/t7-/m0/s1
Synonyms:3-[(2-AMINOPHENYL)DITHIO]-L-ALANINE
Definition date:2007-02-02
Last modified:2024-09-27
Identifier:3-[(2-aminophenyl)disulfanyl]-L-alanine
CS3
CS3
Name:S-[3-OXO-3-(2-THIENYL)PROPYL]-L-CYSTEINE
Formula:C10 H13 N O3 S2
SMILES:O=C(c1sccc1)CCSCC(C(=O)O)N
InChi:InChI=1S/C10H13NO3S2/c11-7(10(13)14)6-15-5-3-8(12)9-2-1-4-16-9/h1-2,4,7H,3,5-6,11H2,(H,13,14)/t7-/m0/s1
Synonyms:(R)-2-AMINO-3-(3-OXO-3-(THIOPHEN-2-YL)PROPYLTHIO)PROPANOIC ACID
Definition date:2007-02-07
Last modified:2024-09-27
Identifier:S-(3-oxo-3-thiophen-2-ylpropyl)-L-cysteine
CS4
CS4
Name:S-[3-(3,4-DICHLOROPHENYL)-3-OXOPROPYL]-L-CYSTEINE
Formula:C12 H13 Cl2 N O3 S
SMILES:Clc1ccc(C(=O)CCSCC(C(=O)O)N)cc1Cl
InChi:InChI=1S/C12H13Cl2NO3S/c13-8-2-1-7(5-9(8)14)11(16)3-4-19-6-10(15)12(17)18/h1-2,5,10H,3-4,6,15H2,(H,17,18)/t10-/m0/s1
Synonyms:(R)-2-AMINO-3-(3-(3,4-DICHLOROPHENYL)-3-OXOPROPYLTHIO)PROPANOIC ACID
Definition date:2007-02-07
Last modified:2024-09-27
Identifier:S-[3-(3,4-dichlorophenyl)-3-oxopropyl]-L-cysteine
CSH
CSH
Name:[2-(2-HYDROXY-1-METHYL-ETHYL)-4-(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-IMIDAZOLIDIN-1-YL]-ACETIC ACID
Formula:C11 H17 N5 O4
SMILES:O=C1N(CC(=O)O)C(NC1Cc2ncnc2)C(N)CO
InChi:InChI=1S/C11H17N5O4/c12-7(4-17)10-15-8(1-6-2-13-5-14-6)11(20)16(10)3-9(18)19/h2,5,7-8,10,15,17H,1,3-4,12H2,(H,13,14)(H,18,19)/t7-,8-,10-/m0/s1
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:[(2S,4S)-2-[(1R)-1-amino-2-hydroxyethyl]-4-(1H-imidazol-4-ylmethyl)-5-oxoimidazolidin-1-yl]acetic acid

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數據於2024-11-06公開中

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