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CH1
CH1
表記:3'-DEOXY-CYTIDINE-5'-TRIPHOSPHATE
組成式:C9 H16 N3 O13 P3
SMILES:O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2
InChi:InChI=1S/C9H16N3O13P3/c10-7-1-2-12(9(14)11-7)8-6(13)3-5(23-8)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H,20,21)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
定義日:2002-10-24
最終更新日:2011-06-04
識別子（ID）:3'-deoxycytidine 5'-(tetrahydrogen triphosphate)
TTM
TTM
表記:N3-ETHYL-THYMIDINE-5'-MONOPHOSPHATE
組成式:C12 H19 N2 O8 P
SMILES:O=C1N(C(=O)N(C=C1C)C2OC(C(O)C2)COP(=O)(O)O)CC
InChi:InChI=1S/C12H19N2O8P/c1-3-13-11(16)7(2)5-14(12(13)17)10-4-8(15)9(22-10)6-21-23(18,19)20/h5,8-10,15H,3-4,6H2,1-2H3,(H2,18,19,20)/t8-,9+,10+/m0/s1
定義日:2004-09-13
最終更新日:2011-06-04
識別子（ID）:3-ethylthymidine 5'-(dihydrogen phosphate)
TTN
TTN
表記:TARTRONATE
組成式:C3 H2 O5
SMILES:[O-]C(=O)C(O)C([O-])=O
InChi:InChI=1S/C3H4O5/c4-1(2(5)6)3(7)8/h1,4H,(H,5,6)(H,7,8)/p-2
定義日:2000-02-16
最終更新日:2011-06-04
識別子（ID）:hydroxypropanedioate
TTO
TTO
表記:(3,4-DIHYDROXY-PHENYL)-TRIPHENYL-ARSONIUM
組成式:C24 H20 As O2
SMILES:Oc1cc(ccc1O)[As+](c2ccccc2)(c3ccccc3)c4ccccc4
InChi:InChI=1S/C24H19AsO2/c26-23-17-16-22(18-24(23)27)25(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H,(H-,26,27)/p+1
定義日:2001-02-01
最終更新日:2011-06-04
識別子（ID）:(3,4-dihydroxyphenyl)(triphenyl)arsonium
TTP
TTP
表記:THYMIDINE-5'-TRIPHOSPHATE
組成式:C10 H17 N2 O14 P3
SMILES:O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C(=C1)C)CC2O
InChi:InChI=1S/C10H17N2O14P3/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:thymidine 5'-(tetrahydrogen triphosphate)
TTR
TTR
表記:9-ACETYL-2,3,4,9-TETRAHYDRO-1H-CARBAZOL-1-ONE
組成式:C14 H13 N O2
SMILES:O=C3c2c(c1c(cccc1)n2C(=O)C)CCC3
InChi:InChI=1S/C14H13NO2/c1-9(16)15-12-7-3-2-5-10(12)11-6-4-8-13(17)14(11)15/h2-3,5,7H,4,6,8H2,1H3
定義日:2005-12-06
最終更新日:2011-06-04
識別子（ID）:9-acetyl-2,3,4,9-tetrahydro-1H-carbazol-1-one
CHB
CHB
表記:3-CHLORO-4-HYDROXYBENZOIC ACID
組成式:C7 H5 Cl O3
SMILES:Clc1cc(C(=O)O)ccc1O
InChi:InChI=1S/C7H5ClO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,(H,10,11)
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:3-chloro-4-hydroxybenzoic acid
CHC
CHC
表記:6-ETHYL-CHENODEOXYCHOLIC ACID
組成式:C26 H44 O4
SMILES:O=C(O)CCC(C4C3(C(C1C(C2(C(C(CC)C1O)CC(O)CC2)C)CC3)CC4)C)C
InChi:InChI=1S/C26H44O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h15-21,23-24,27,30H,5-14H2,1-4H3,(H,28,29)/t15-,16-,17-,18-,19+,20+,21+,23+,24-,25-,26-/m1/s1
定義日:2003-04-18
最終更新日:2011-06-04
識別子（ID）:(3beta,5beta,6alpha,7beta)-6-ethyl-3,7-dihydroxycholan-24-oic acid
TTT
TTT
表記:5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
組成式:C20 H20 N2 O
SMILES:O=C(c1cc(N)ccc1C)NC(c3c2ccccc2ccc3)C
InChi:InChI=1S/C20H20N2O/c1-13-10-11-16(21)12-19(13)20(23)22-14(2)17-9-5-7-15-6-3-4-8-18(15)17/h3-12,14H,21H2,1-2H3,(H,22,23)/t14-/m1/s1
定義日:2008-08-28
最終更新日:2011-06-04
識別子（ID）:5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CHD
CHD
表記:CHOLIC ACID
組成式:C24 H40 O5
SMILES:O=C(O)CCC(C3CCC2C1C(O)CC4CC(O)CCC4(C)C1CC(O)C23C)C
InChi:InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1
定義日:2000-02-08
最終更新日:2011-06-04
識別子（ID）:(3alpha,5beta,7alpha,8alpha,12alpha,14beta,17alpha)-3,7,12-trihydroxycholan-24-oic acid
CHF
CHF
表記:CYCLOHEXYLFLUOROSTATONE
組成式:C11 H19 F2 N O4
SMILES:O=C(O)C(F)(F)C(O)(O)C(N)CC1CCCCC1
InChi:InChI=1S/C11H19F2NO4/c12-10(13,9(15)16)11(17,18)8(14)6-7-4-2-1-3-5-7/h7-8,17-18H,1-6,14H2,(H,15,16)/t8-/m0/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(4S)-4-amino-5-cyclohexyl-2,2-difluoro-3,3-dihydroxypentanoic acid
CHI
CHI
表記:5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID [1-(4-FLUOROBENZYL)-2-(4-HYDROXYPIPERIDIN-1YL)-2-OXOETHYL]AMIDE
組成式:C23 H23 Cl F N3 O3
SMILES:O=C(N1CCC(O)CC1)C(NC(=O)c3cc2cc(Cl)ccc2n3)Cc4ccc(F)cc4
InChi:InChI=1S/C23H23ClFN3O3/c24-16-3-6-19-15(12-16)13-20(26-19)22(30)27-21(11-14-1-4-17(25)5-2-14)23(31)28-9-7-18(29)8-10-28/h1-6,12-13,18,21,26,29H,7-11H2,(H,27,30)/t21-/m0/s1
定義日:1999-10-18
最終更新日:2011-06-04
識別子（ID）:5-chloro-N-[(1S)-1-(4-fluorobenzyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-1H-indole-2-carboxamide
CHN
CHN
表記:4-AMINOMETHYL-CYCLOHEXYLAMINE
組成式:C7 H16 N2
SMILES:NCC1CCC(N)CC1
InChi:InChI=1S/C7H16N2/c8-5-6-1-3-7(9)4-2-6/h6-7H,1-5,8-9H2/t6-,7-
定義日:1999-10-29
最終更新日:2011-06-04
識別子（ID）:trans-4-(aminomethyl)cyclohexanamine
CI2
CI2
表記:(5BETA)-PREGNANE-3,20-DIONE
組成式:C21 H32 O2
SMILES:O=C(C)C2C1(CCC4C(C1CC2)CCC3CC(=O)CCC34C)C
InChi:InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14,16-19H,4-12H2,1-3H3/t14-,16+,17-,18+,19+,20+,21-/m1/s1
定義日:2004-11-16
最終更新日:2011-06-04
識別子（ID）:(5alpha,8alpha,10alpha,14beta,17alpha)-pregnane-3,20-dione
TUI
TUI
表記:2-(4-(2-((3-(5-(PYRIDIN-2-YLTHIO)THIAZOL-2-YL)UREIDO)METHYL)-1H-IMIDAZOL-4-YL)PHENOXY)ACETIC ACID
組成式:C21 H18 N6 O4 S2
SMILES:O=C(Nc2ncc(Sc1ncccc1)s2)NCc4nc(c3ccc(OCC(=O)O)cc3)cn4
InChi:InChI=1S/C21H18N6O4S2/c28-18(29)12-31-14-6-4-13(5-7-14)15-9-23-16(26-15)10-24-20(30)27-21-25-11-19(33-21)32-17-3-1-2-8-22-17/h1-9,11H,10,12H2,(H,23,26)(H,28,29)(H2,24,25,27,30)
定義日:2007-08-13
最終更新日:2011-06-04
識別子（ID）:(4-{2-[({[5-(pyridin-2-ylsulfanyl)-1,3-thiazol-2-yl]carbamoyl}amino)methyl]-1H-imidazol-4-yl}phenoxy)acetic acid
CI9
CI9
表記:N-({(1S)-5-[4-(13-{[2,4-BIS(DIHYDROXYAMINO)PHENYL]AMINO}-2,5,8,11-TETRAOXATRIDEC-1-YL)-1H-1,2,3-TRIAZOL-1-YL]-1-CARBOXYPENTYL}CARBAMOYL)-L-GLUTAMIC ACID
組成式:C29 H46 N8 O15
SMILES:O=C(O)C(NC(=O)NC(C(=O)O)CCCCn1nnc(c1)COCCOCCOCCOCCNc2ccc(N(O)O)cc2N(O)O)CCC(=O)O
InChi:InChI=1S/C29H46N8O15/c38-26(39)7-6-24(28(42)43)32-29(44)31-23(27(40)41)3-1-2-9-35-18-20(33-34-35)19-52-16-15-51-14-13-50-12-11-49-10-8-30-22-5-4-21(36(45)46)17-25(22)37(47)48/h4-5,17-18,23-24,30,45-48H,1-3,6-16,19H2,(H,38,39)(H,40,41)(H,42,43)(H2,31,32,44)/t23-,24-/m0/s1
定義日:2010-05-14
最終更新日:2011-06-04
識別子（ID）:N-({(1S)-5-[4-(13-{[2,4-bis(dihydroxyamino)phenyl]amino}-2,5,8,11-tetraoxatridec-1-yl)-1H-1,2,3-triazol-1-yl]-1-carboxypentyl}carbamoyl)-L-glutamic acid
TUO
TUO
表記:2-(hydrazinocarbonyl)-3-phenyl-1H-indole-5-sulfonamide
組成式:C15 H14 N4 O3 S
SMILES:O=S(=O)(c1cc2c(cc1)nc(c2c3ccccc3)C(=O)NN)N
InChi:InChI=1S/C15H14N4O3S/c16-19-15(20)14-13(9-4-2-1-3-5-9)11-8-10(23(17,21)22)6-7-12(11)18-14/h1-8,18H,16H2,(H,19,20)(H2,17,21,22)
定義日:2007-11-05
最終更新日:2011-06-04
識別子（ID）:2-(hydrazinocarbonyl)-3-phenyl-1H-indole-5-sulfonamide
CIC
CIC
表記:CITRYL-THIOETHER-COENZYME *A
組成式:C27 H44 N7 O21 P3 S
SMILES:O=C(O)C(O)(CC(=O)O)CCSCCNC(=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/C27H44N7O21P3S/c1-26(2,20(39)23(40)30-5-3-15(35)29-6-8-59-7-4-27(43,25(41)42)9-16(36)37)11-52-58(49,50)55-57(47,48)51-10-14-19(54-56(44,45)46)18(38)24(53-14)34-13-33-17-21(28)31-12-32-22(17)34/h12-14,18-20,24,38-39,43H,3-11H2,1-2H3,(H,29,35)(H,30,40)(H,36,37)(H,41,42)(H,47,48)(H,49,50)(H2,28,31,32)(H2,44,45,46)/t14-,18-,19-,20+,24-,27-/m1/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(2S)-2-{(12R,16S,18R)-20-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-12,16,18-trihydroxy-13,13-dimethyl-16,18-dioxido-7,11-dioxo-15,17,19-trioxa-3-thia-6,10-diaza-16,18-diphosphaicos-1-yl}-2-hydroxybutanedioic acid (non-preferred name)
CID
CID
表記:6-(4-CHLOROPHENYL)IMIDAZO[2,1-B][1,3]THIAZOLE-5-CARBALDEHYDE O-(3,4-DICHLOROBENZYL)OXIME
組成式:C19 H12 Cl3 N3 O S
SMILES:Clc1ccc(cc1Cl)CON=Cc3n4ccsc4nc3c2ccc(Cl)cc2
InChi:InChI=1S/C19H12Cl3N3OS/c20-14-4-2-13(3-5-14)18-17(25-7-8-27-19(25)24-18)10-23-26-11-12-1-6-15(21)16(22)9-12/h1-10H,11H2/b23-10+
定義日:2004-11-17
最終更新日:2011-06-04
識別子（ID）:6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde O-(3,4-dichlorobenzyl)oxime
CIH
CIH
表記:(2Z)-2-cyano-N-(2,2'-dichlorobiphenyl-4-yl)-3-hydroxybut-2-enamide
組成式:C17 H12 Cl2 N2 O2
SMILES:Clc2cc(ccc2c1c(Cl)cccc1)NC(=O)C(/C#N)=C(O)C
InChi:InChI=1S/C17H12Cl2N2O2/c1-10(22)14(9-20)17(23)21-11-6-7-13(16(19)8-11)12-4-2-3-5-15(12)18/h2-8,22H,1H3,(H,21,23)/b14-10-
定義日:2008-12-16
最終更新日:2011-06-04
識別子（ID）:(2Z)-2-cyano-N-(2,2'-dichlorobiphenyl-4-yl)-3-hydroxybut-2-enamide
HMA
HMA
表記:HYDROXYAMINOALANINE
組成式:C3 H8 N2 O2
SMILES:O=C(NO)C(N)C
InChi:InChI=1S/C3H8N2O2/c1-2(4)3(6)5-7/h2,7H,4H2,1H3,(H,5,6)/t2-/m0/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:N-hydroxy-L-alaninamide
CII
CII
表記:N-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide
組成式:C17 H25 N3 O2
SMILES:O=C(Nc1ccncc1)C(NC(=O)C2CCCCC2)C(C)C
InChi:InChI=1S/C17H25N3O2/c1-12(2)15(17(22)19-14-8-10-18-11-9-14)20-16(21)13-6-4-3-5-7-13/h8-13,15H,3-7H2,1-2H3,(H,20,21)(H,18,19,22)/t15-/m0/s1
定義日:2008-08-12
最終更新日:2011-06-04
識別子（ID）:N-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide
HMC
HMC
表記:5-HYDROXYMETHYL-CHONDURITOL
組成式:C7 H12 O5
SMILES:OC1C(=CC(O)C(O)C1O)CO
InChi:InChI=1S/C7H12O5/c8-2-3-1-4(9)6(11)7(12)5(3)10/h1,4-12H,2H2/t4-,5+,6-,7-/m0/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(1S,2S,3S,4R)-5-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol
HME
HME
表記:PORPHYCENE CONTAINING FE
組成式:C34 H36 Fe N4 O4
SMILES:O=C(O)CCC=8C2=C1C(=C(C=3N1[Fe]57[N+]2=C(C=Cc6c(c(c(C4=[N+]5C(=CC=3)C(=C4C)CC)n67)C)CC)C=8C)C)CCC(=O)O
InChi:InChI=1S/C34H38N4O4.Fe/c1-7-21-19(5)31-32-20(6)22(8-2)28(38-32)14-12-26-18(4)24(10-16-30(41)42)34(36-26)33-23(9-15-29(39)40)17(3)25(35-33)11-13-27(21)37-31
定義日:2006-01-10
最終更新日:2011-06-04
識別子（ID）:{3,3'-[9,14-diethyl-4,10,13,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1~2,5~.1~8,11~.1~12,15~]tetracosa-1,3,5(24),6,8,10,12(22),13,15,17,19-undecaene-3,20-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(2-)}iron(2+)
CIP
CIP
表記:INOSITOL-2-METHYLENE-1,2-CYCLIC-MONOPHOSPHATE
組成式:C7 H13 O7 P
SMILES:O=P1(OC2C(C1)C(O)C(O)C(O)C2O)O
InChi:InChI=1S/C7H13O7P/c8-3-2-1-15(12,13)14-7(2)6(11)5(10)4(3)9/h2-11H,1H2,(H,12,13)/t2-,3+,4-,5+,6-,7-/m1/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(2R,3aR,4S,5R,6S,7R,7aR)octahydro-1,2-benzoxaphosphole-2,4,5,6,7-pentol 2-oxide

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