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6VO
6VO
表記:(3~{R},4~{S})-4-azanyl-2,6-dimethyl-heptane-2,3-diol
組成式:C9 H21 N O2
SMILES:CC(C)C[CH](N)[CH](O)C(C)(C)O
InChi:InChI=1S/C9H21NO2/c1-6(2)5-7(10)8(11)9(3,4)12/h6-8,11-12H,5,10H2,1-4H3/t7-,8+/m0/s1
定義日:2016-07-07
最終更新日:2024-09-27
公開日:2016-08-17
識別子（ID）:(3~{R},4~{S})-4-azanyl-2,6-dimethyl-heptane-2,3-diol
6W5
6W5
表記:[(3~{S})-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[2-(prop-2-enoylamino)ethylamino]propyl]amino]butyl] dihydrogen phosphate
組成式:C14 H26 N3 O8 P
SMILES:CC(C)(CO[P](O)(O)=O)[CH](O)C(=O)NCCC(=O)NCCNC(=O)C=C
InChi:InChI=1S/C14H26N3O8P/c1-4-10(18)15-7-8-16-11(19)5-6-17-13(21)12(20)14(2,3)9-25-26(22,23)24/h4,12,20H,1,5-9H2,2-3H3,(H,15,18)(H,16,19)(H,17,21)(H2,22,23,24)/t12-/m1/s1
定義日:2016-07-08
最終更新日:2024-09-27
公開日:2018-01-24
識別子（ID）:[(3~{S})-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[2-(prop-2-enoylamino)ethylamino]propyl]amino]butyl] dihydrogen phosphate
6WG
6WG
表記:(2~{R})-2-phenylpiperidine-1-carbaldehyde
組成式:C12 H15 N O
SMILES:O=CN1CCCC[CH]1c2ccccc2
InChi:InChI=1S/C12H15NO/c14-10-13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-3,6-7,10,12H,4-5,8-9H2/t12-/m1/s1
定義日:2016-07-11
最終更新日:2024-09-27
公開日:2016-07-20
識別子（ID）:(2~{R})-2-phenylpiperidine-1-carbaldehyde
6WK
6WK
表記:(2~{R})-2-azanyl-3-[[(2~{S},3~{S})-2,3-bis(oxidanyl)-4-sulfanyl-butyl]disulfanyl]propanoic acid
組成式:C7 H15 N O4 S3
SMILES:N[CH](CSSC[CH](O)[CH](O)CS)C(O)=O
InChi:InChI=1S/C7H15NO4S3/c8-4(7(11)12)2-14-15-3-6(10)5(9)1-13/h4-6,9-10,13H,1-3,8H2,(H,11,12)/t4-,5+,6+/m0/s1
定義日:2016-07-11
最終更新日:2024-09-27
公開日:2016-10-12
識別子（ID）:(2~{R})-2-azanyl-3-[[(2~{S},3~{S})-2,3-bis(oxidanyl)-4-sulfanyl-butyl]disulfanyl]propanoic acid
6Y1
6Y1
表記:~{N}-(1-adamantyl)-2-selanyl-benzamide
組成式:C17 H21 N O Se
SMILES:[SeH]c1ccccc1C(=O)NC23CC4CC(CC(C4)C2)C3
InChi:InChI=1S/C17H21NOSe/c19-16(14-3-1-2-4-15(14)20)18-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13,20H,5-10H2,(H,18,19)/t11-,12+,13-,17-
別名:Adamantyl Ebselen (open form)
定義日:2016-07-21
最終更新日:2024-09-27
公開日:2017-03-29
識別子（ID）:~{N}-(1-adamantyl)-2-selanyl-benzamide
6Y3
6Y3
表記:~{N}-(4-aminophenyl)-2-selanyl-benzamide
組成式:C13 H12 N2 O Se
SMILES:Nc1ccc(NC(=O)c2ccccc2[SeH])cc1
InChi:InChI=1S/C13H12N2OSe/c14-9-5-7-10(8-6-9)15-13(16)11-3-1-2-4-12(11)17/h1-8,17H,14H2,(H,15,16)
別名:amino-ebselen (open form)
定義日:2016-07-21
最終更新日:2024-09-27
公開日:2017-03-29
識別子（ID）:~{N}-(4-aminophenyl)-2-selanyl-benzamide
6Y5
6Y5
表記:5-fluoranyl-2-oxidanylidene-pentanoic acid
組成式:C5 H7 F O3
SMILES:OC(=O)C(=O)CCCF
InChi:InChI=1S/C5H7FO3/c6-3-1-2-4(7)5(8)9/h1-3H2,(H,8,9)
定義日:2016-07-21
最終更新日:2024-09-27
公開日:2018-02-21
識別子（ID）:5-fluoranyl-2-oxidanylidene-pentanoic acid
6ZD
6ZD
表記:5'-O-[(R)-[({2-[(chloroacetyl)amino]ethyl}sulfamoyl)methyl](hydroxy)phosphoryl]guanosine
組成式:C15 H23 Cl N7 O10 P S
SMILES:C1(C(C(COP(CS(=O)(NCCNC(CCl)=O)=O)(O)=O)OC1n3c2c(C(N=C(N)N2)=O)nc3)O)O
InChi:InChI=1S/C15H23ClN7O10PS/c16-3-8(24)18-1-2-20-35(30,31)6-34(28,29)32-4-7-10(25)11(26)14(33-7)23-5-19-9-12(23)21-15(17)22-13(9)27/h5,7,10-11,14,20,25-26H,1-4,6H2,(H,18,24)(H,28,29)(H3,17,21,22,27)/t7-,10-,11-,14-/m1/s1
定義日:2016-07-29
最終更新日:2024-09-27
公開日:2017-04-12
識別子（ID）:5'-O-[(R)-[({2-[(chloroacetyl)amino]ethyl}sulfamoyl)methyl](hydroxy)phosphoryl]guanosine
45W
45W
表記:(4S)-4-(ethynyloxy)-D-proline
組成式:C7 H9 N O3
SMILES:O=C(O)C1NCC(OC#C)C1
InChi:InChI=1S/C7H9NO3/c1-2-11-5-3-6(7(9)10)8-4-5/h1,5-6,8H,3-4H2,(H,9,10)/t5-,6+/m0/s1
定義日:2015-02-10
最終更新日:2024-09-27
公開日:2015-05-13
識別子（ID）:(4S)-4-(ethynyloxy)-D-proline
46Z
46Z
表記:(2R,3R,4S,5S)-4-fluoro-3,5-dihydroxytetrahydrofuran-2-yl 2-phenylethyl hydrogen (S)-phosphate
組成式:C12 H16 F O7 P
SMILES:O=P(O)(OC1OC(O)C(F)C1O)OCCc2ccccc2
InChi:InChI=1S/C12H16FO7P/c13-9-10(14)12(19-11(9)15)20-21(16,17)18-7-6-8-4-2-1-3-5-8/h1-5,9-12,14-15H,6-7H2,(H,16,17)/t9-,10-,11-,12+/m0/s1
別名:Inhibitor CZ-46 based on arabinosyl-2-fluoro-2-deoxynicotinamide mononucleotide, bound form
定義日:2011-05-12
最終更新日:2024-09-27
識別子（ID）:(2R,3R,4S,5S)-4-fluoro-3,5-dihydroxytetrahydrofuran-2-yl 2-phenylethyl hydrogen (S)-phosphate
47J
47J
表記:1-(1,3-dimethyl-1H-pyrazol-5-yl)methanamine
組成式:C6 H11 N3
SMILES:n1c(cc(n1C)CN)C
InChi:InChI=1S/C6H11N3/c1-5-3-6(4-7)9(2)8-5/h3H,4,7H2,1-2H3
定義日:2015-02-11
最終更新日:2024-09-27
公開日:2016-03-02
識別子（ID）:1-(1,3-dimethyl-1H-pyrazol-5-yl)methanamine
48V
48V
表記:{[(2R)-2,3-diamino-3-oxopropyl]sulfanyl}acetic acid
組成式:C5 H10 N2 O3 S
SMILES:O=C(N)C(N)CSCC(=O)O
InChi:InChI=1S/C5H10N2O3S/c6-3(5(7)10)1-11-2-4(8)9/h3H,1-2,6H2,(H2,7,10)(H,8,9)/t3-/m0/s1
定義日:2015-02-13
最終更新日:2024-09-27
公開日:2015-09-23
識別子（ID）:{[(2R)-2,3-diamino-3-oxopropyl]sulfanyl}acetic acid
48Z
48Z
表記:2-deoxy-2-fluoro-5-O-thiophosphono-alpha-D-arabinofuranose
組成式:C5 H10 F O6 P S
SMILES:FC1C(O)C(OC1O)COP(=O)(O)S
InChi:InChI=1S/C5H10FO6PS/c6-3-4(7)2(12-5(3)8)1-11-13(9,10)14/h2-5,7-8H,1H2,(H2,9,10,14)/t2-,3+,4-,5+/m1/s1
定義日:2011-05-11
最終更新日:2024-09-27
識別子（ID）:2-deoxy-2-fluoro-5-O-thiophosphono-alpha-D-arabinofuranose
4AC
4AC
表記:N(4)-ACETYLCYTIDINE-5'-MONOPHOSPHATE
組成式:C11 H16 N3 O9 P
SMILES:O=C(NC1=NC(=O)N(C=C1)C2OC(C(O)C2O)COP(=O)(O)O)C
InChi:InChI=1S/C11H16N3O9P/c1-5(15)12-7-2-3-14(11(18)13-7)10-9(17)8(16)6(23-10)4-22-24(19,20)21/h2-3,6,8-10,16-17H,4H2,1H3,(H2,19,20,21)(H,12,13,15,18)/t6-,8-,9-,10-/m1/s1
定義日:2001-01-18
最終更新日:2024-09-27
識別子（ID）:N-acetylcytidine 5'-(dihydrogen phosphate)
4AF
4AF
表記:4-ACETYL-L-PHENYLALANINE
組成式:C11 H13 N O3
SMILES:O=C(O)C(N)Cc1ccc(cc1)C(=O)C
InChi:InChI=1S/C11H13NO3/c1-7(13)9-4-2-8(3-5-9)6-10(12)11(14)15/h2-5,10H,6,12H2,1H3,(H,14,15)/t10-/m0/s1
別名:P-ACETYLPHENYLALANINE
定義日:2005-05-04
最終更新日:2024-09-27
識別子（ID）:4-acetyl-L-phenylalanine
4AK
4AK
表記:N~6~-sulfo-L-lysine
組成式:C6 H14 N2 O5 S
SMILES:O=S(=O)(O)NCCCCC(C(=O)O)N
InChi:InChI=1S/C6H14N2O5S/c7-5(6(9)10)3-1-2-4-8-14(11,12)13/h5,8H,1-4,7H2,(H,9,10)(H,11,12,13)/t5-/m0/s1
定義日:2015-02-20
最終更新日:2024-09-27
公開日:2015-07-15
識別子（ID）:N~6~-sulfo-L-lysine
4AR
4AR
表記:amino({(4S)-4-amino-6-[(2,6-dimethylbenzoyl)oxy]-5-oxohexyl}amino)methaniminium
組成式:C16 H25 N4 O3
SMILES:O=C(OCC(=O)C(N)CCCNC(=[NH2+])N)c1c(cccc1C)C
InChi:InChI=1S/C16H24N4O3/c1-10-5-3-6-11(2)14(10)15(22)23-9-13(21)12(17)7-4-8-20-16(18)19/h3,5-6,12H,4,7-9,17H2,1-2H3,(H4,18,19,20)/p+1/t12-/m0/s1
定義日:2013-01-09
最終更新日:2024-09-27
識別子（ID）:amino({(4S)-4-amino-6-[(2,6-dimethylbenzoyl)oxy]-5-oxohexyl}amino)methaniminium
4AW
4AW
表記:4-AZATRYPTOPHAN
組成式:C10 H11 N3 O2
SMILES:O=C(O)C(N)Cc2c1ncccc1nc2
InChi:InChI=1S/C10H11N3O2/c11-7(10(14)15)4-6-5-13-8-2-1-3-12-9(6)8/h1-3,5,7,13H,4,11H2,(H,14,15)/t7-/m0/s1
定義日:2012-07-16
最終更新日:2024-09-27
公開日:2013-05-29
識別子（ID）:3-(1H-pyrrolo[3,2-b]pyridin-3-yl)-L-alanine
4AY
4AY
表記:4-(bromomethyl)benzoic acid
組成式:C8 H7 Br O2
SMILES:BrCc1ccc(C(=O)O)cc1
InChi:InChI=1S/C8H7BrO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5H2,(H,10,11)
定義日:2015-02-21
最終更新日:2024-09-27
公開日:2016-03-02
識別子（ID）:4-(bromomethyl)benzoic acid
4BA
4BA
表記:4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-BENZOIC ACID
組成式:C11 H13 N O4
SMILES:O=C(O)c1ccc(cc1)CNCCC(=O)O
InChi:InChI=1S/C11H13NO4/c13-10(14)5-6-12-7-8-1-3-9(4-2-8)11(15)16/h1-4,12H,5-7H2,(H,13,14)(H,15,16)
定義日:2000-08-08
最終更新日:2024-09-27
識別子（ID）:4-{[(2-carboxyethyl)amino]methyl}benzoic acid
4BF
4BF
表記:4-BROMO-L-PHENYLALANINE
組成式:C9 H10 Br N O2
SMILES:Brc1ccc(cc1)CC(C(=O)O)N
InChi:InChI=1S/C9H10BrNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
別名:P-BROMO-L-PHENYLALANINE
定義日:2005-08-22
最終更新日:2024-09-27
識別子（ID）:4-bromo-L-phenylalanine
4BP
4BP
表記:4,4'-bis(bromomethyl)biphenyl
組成式:C14 H12 Br2
SMILES:BrCc2ccc(c1ccc(cc1)CBr)cc2
InChi:InChI=1S/C14H12Br2/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1-8H,9-10H2
定義日:2012-09-28
最終更新日:2024-09-27
公開日:2012-11-30
識別子（ID）:4,4'-bis(bromomethyl)biphenyl
4C9
4C9
表記:(2S)-2-({(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}carbonyl)-4,4-dimethylpentanenitrile
組成式:C30 H33 N7 O2
SMILES:N#CC(C(=O)N5CCCC(n2nc(c1c(ncnc12)N)c4ccc(Oc3ccccc3)cc4)C5)CC(C)(C)C
InChi:InChI=1S/C30H33N7O2/c1-30(2,3)16-21(17-31)29(38)36-15-7-8-22(18-36)37-28-25(27(32)33-19-34-28)26(35-37)20-11-13-24(14-12-20)39-23-9-5-4-6-10-23/h4-6,9-14,19,21-22H,7-8,15-16,18H2,1-3H3,(H2,32,33,34)/t21-,22-/m1/s1
定義日:2015-02-27
最終更新日:2024-09-27
公開日:2015-05-13
識別子（ID）:(2S)-2-({(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}carbonyl)-4,4-dimethylpentanenitrile
4CB
4CB
表記:4-CARBOXYPHENYLBORONIC ACID
組成式:C7 H7 B O4
SMILES:O=C(O)c1ccc(B(O)O)cc1
InChi:InChI=1S/C7H7BO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,11-12H,(H,9,10)
定義日:2001-11-20
最終更新日:2024-09-27
識別子（ID）:4-(dihydroxyboranyl)benzoic acid
4CF
4CF
表記:4-cyano-L-phenylalanine
組成式:C10 H10 N2 O2
SMILES:O=C(O)C(N)Cc1ccc(C#N)cc1
InChi:InChI=1S/C10H10N2O2/c11-6-8-3-1-7(2-4-8)5-9(12)10(13)14/h1-4,9H,5,12H2,(H,13,14)/t9-/m0/s1
定義日:2010-09-07
最終更新日:2024-09-27
識別子（ID）:4-cyano-L-phenylalanine

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