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DPQ
DPQ
表記:(S)-2-AMINO-3-(4-HYDROXY-3-OXOCYCLOHEXA-1,4-DIENYL)PROPANOIC ACID
組成式:C9 H11 N O4
SMILES:O=C1C=C(CC(C(=O)O)N)CC=C1O
InChi:InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h2,4,6,11H,1,3,10H2,(H,13,14)/t6-/m0/s1
定義日:2007-05-11
最終更新日:2024-09-27
識別子（ID）:3-(4-hydroxy-3-oxocyclohexa-1,4-dien-1-yl)-L-alanine
2MK
2MK
表記:N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2R,3S)-1,2-dihydroxy-5-methylhexan-3-yl]-L-leucinamide
組成式:C27 H45 N3 O6
SMILES:O=C(NC(CC(C)C)C(O)CO)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)CC(C)C
InChi:InChI=1S/C27H45N3O6/c1-17(2)12-21(24(32)15-31)28-25(33)22(13-18(3)4)29-26(34)23(14-19(5)6)30-27(35)36-16-20-10-8-7-9-11-20/h7-11,17-19,21-24,31-32H,12-16H2,1-6H3,(H,28,33)(H,29,34)(H,30,35)/t21-,22-,23-,24-/m0/s1
別名:PHQ-Leu-Leu-Leu-ketoaldehyde, bound form
定義日:2013-12-04
最終更新日:2024-09-27
公開日:2014-02-12
識別子（ID）:N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2R,3S)-1,2-dihydroxy-5-methylhexan-3-yl]-L-leucinamide
2ML
2ML
表記:2-METHYLLEUCINE
組成式:C7 H15 N O2
SMILES:O=C(O)C(N)(C)CC(C)C
InChi:InChI=1S/C7H15NO2/c1-5(2)4-7(3,8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t7-/m0/s1
定義日:2001-02-08
最終更新日:2024-09-27
識別子（ID）:2-methyl-L-leucine
2MM
2MM
表記:N,N-dimethyl-L-methionine
組成式:C7 H15 N O2 S
SMILES:O=C(O)C(N(C)C)CCSC
InChi:InChI=1S/C7H15NO2S/c1-8(2)6(7(9)10)4-5-11-3/h6H,4-5H2,1-3H3,(H,9,10)/t6-/m0/s1
定義日:2008-03-14
最終更新日:2024-09-27
識別子（ID）:N,N-dimethyl-L-methionine
DQA
DQA
表記:1,3,4-TRIHYDROXY-5-OXO-CYCLOHEXANECARBOXYLIC ACID
組成式:C7 H10 O6
SMILES:O=C1C(O)C(O)CC(O)(C(=O)O)C1
InChi:InChI=1S/C7H10O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3,5,8,10,13H,1-2H2,(H,11,12)/t3-,5+,7-/m1/s1
別名:3-DEHYDROQUINIC ACID
定義日:2003-01-20
最終更新日:2024-09-27
識別子（ID）:(1R,3R,4S)-1,3,4-trihydroxy-5-oxocyclohexanecarboxylic acid
2MR
2MR
表記:N3, N4-DIMETHYLARGININE
組成式:C8 H18 N4 O2
SMILES:O=C(O)C(N)CCCNC(=N/C)NC
InChi:InChI=1S/C8H18N4O2/c1-10-8(11-2)12-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H,13,14)(H2,10,11,12)/t6-/m0/s1
定義日:2000-11-03
最終更新日:2024-09-27
識別子（ID）:N~5~-(N,N'-dimethylcarbamimidoyl)-L-ornithine
2MT
2MT
表記:(4R)-2,2-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXYLIC ACID
組成式:C6 H11 N O2 S
SMILES:O=C(O)C1NC(SC1)(C)C
InChi:InChI=1S/C6H11NO2S/c1-6(2)7-4(3-10-6)5(8)9/h4,7H,3H2,1-2H3,(H,8,9)/t4-/m0/s1
別名:2,2-DIMETHYLTHIAZOLIDINE-4-CARBOXYLIC ACID
定義日:2004-02-16
最終更新日:2024-09-27
識別子（ID）:(4R)-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid
2N2
2N2
表記:2-(3,6-dihydroxy-9H-xanthen-9-yl)-5-{[(6-oxohexyl)carbamothioyl]amino}benzoic acid
組成式:C27 H26 N2 O7 S
SMILES:O=CCCCCCNC(=S)Nc1ccc(c(C(=O)O)c1)C3c4c(Oc2c3ccc(O)c2)cc(O)cc4
InChi:InChI=1S/C27H26N2O7S/c30-16-6-9-19-22(13-16)36-23-14-17(31)7-10-20(23)25(19)18-8-5-15(12-21(18)26(34)35)29-27(37)28-11-3-1-2-4-24(32)33/h5-10,12-14,25,30-31H,1-4,11H2,(H,32,33)(H,34,35)(H2,28,29,37)
定義日:2013-12-05
最終更新日:2024-09-27
公開日:2014-02-26
識別子（ID）:2-(3,6-dihydroxy-9H-xanthen-9-yl)-5-{[(6-oxohexyl)carbamothioyl]amino}benzoic acid
DQK
DQK
表記:(2~{S})-4-[[(5~{S})-5-azanyl-6-oxidanylidene-hexyl]amino]-2-naphthalen-2-ylsulfanyl-4-oxidanylidene-butanoic acid
組成式:C20 H24 N2 O4 S
SMILES:N[CH](CCCCNC(=O)C[CH](Sc1ccc2ccccc2c1)C(O)=O)C=O
InChi:InChI=1S/C20H24N2O4S/c21-16(13-23)7-3-4-10-22-19(24)12-18(20(25)26)27-17-9-8-14-5-1-2-6-15(14)11-17/h1-2,5-6,8-9,11,13,16,18H,3-4,7,10,12,21H2,(H,22,24)(H,25,26)/t16-,18-/m0/s1
定義日:2018-01-26
最終更新日:2024-09-27
公開日:2018-04-18
識別子（ID）:(2~{S})-4-[[(5~{S})-5-azanyl-6-oxidanylidene-hexyl]amino]-2-naphthalen-2-ylsulfanyl-4-oxidanylidene-butanoic acid
DQL
DQL
表記:2-azanyl-6-sulfanyl-1,3-benzothiazol-4-ol
組成式:C7 H6 N2 O S2
SMILES:Nc1sc2cc(S)cc(O)c2n1
InChi:InChI=1S/C7H6N2OS2/c8-7-9-6-4(10)1-3(11)2-5(6)12-7/h1-2,10-11H,(H2,8,9)
定義日:2019-08-22
最終更新日:2024-09-27
公開日:2020-09-02
識別子（ID）:2-azanyl-6-sulfanyl-1,3-benzothiazol-4-ol
2NF
2NF
表記:[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1yl)- 3-fluoro-,4- hydroxyoxolan-2-yl]methyl phosphate
組成式:C21 H26 F N7 O13 P2
SMILES:NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2F
InChi:InChI=1S/C21H26FN7O13P2/c22-12-14(30)10(40-20(12)28-3-1-2-9(4-28)18(24)33)5-38-43(34,35)42-44(36,37)39-6-11-15(31)16(32)21(41-11)29-8-27-13-17(23)25-7-26-19(13)29/h1-4,7-8,10-12,14-16,20-21,30-32H,5-6H2,(H5-,23,24,25,26,33,34,35,36,37)/t10-,11-,12-,14-,15-,16-,20-,21-/m1/s1
別名:nicotinamide 2'-deoxy-2'-fluororibofuranosyl adenine dinucleotide
定義日:2009-03-27
最終更新日:2024-09-27
識別子（ID）:[(2R,3R,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-4-fluoro-3-hydroxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphate
2NO
2NO
表記:NITROGEN DIOXIDE
組成式:N O2
SMILES:ON=O
InChi:InChI=1S/HNO2/c2-1-3/h(H,2,3)
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:nitrous acid
2ON
2ON
表記:2-sulfanyl-1,9-dihydro-6H-purin-6-one
組成式:C5 H4 N4 O S
SMILES:O=C1c2ncnc2N=C(S)N1
InChi:InChI=1S/C5H4N4OS/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)
定義日:2014-04-23
最終更新日:2024-09-27
公開日:2015-04-01
識別子（ID）:2-sulfanyl-1,9-dihydro-6H-purin-6-one
2OP
2OP
表記:(2S)-2-HYDROXYPROPANOIC ACID
組成式:C3 H6 O3
SMILES:O=C(O)C(O)C
InChi:InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m0/s1
定義日:2004-12-29
最終更新日:2024-09-27
識別子（ID）:(2S)-2-hydroxypropanoic acid
2OR
2OR
表記:amino{[(2R,3R,4S)-4-amino-2,3,5-trihydroxy-5-oxopentyl]amino}methaniminium
組成式:C6 H15 N4 O4
SMILES:O=C(O)C(N)C(O)C(O)CNC(=[NH2+])N
InChi:InChI=1S/C6H14N4O4/c7-3(5(13)14)4(12)2(11)1-10-6(8)9/h2-4,11-12H,1,7H2,(H,13,14)(H4,8,9,10)/p+1/t2-,3+,4+/m1/s1
定義日:2013-08-28
最終更新日:2024-09-27
公開日:2014-06-25
識別子（ID）:amino{[(2R,3R,4S)-4-amino-2,3,5-trihydroxy-5-oxopentyl]amino}methaniminium
7TC
7TC
表記:(2R,3S)-3-methyl-4-methylidene-2-[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2,3-dihydropyrrole-5-carboxylic acid
組成式:C11 H15 N O4
SMILES:C[CH](O)[CH](C=O)[CH]1N=C(C(O)=O)C(=C)[CH]1C
InChi:InChI=1S/C11H15NO4/c1-5-6(2)10(11(15)16)12-9(5)8(4-13)7(3)14/h4-5,7-9,14H,2H2,1,3H3,(H,15,16)/t5-,7+,8+,9+/m0/s1
定義日:2021-10-22
最終更新日:2024-09-27
公開日:2022-10-26
識別子（ID）:(2~{R},3~{S})-3-methyl-4-methylidene-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2,3-dihydropyrrole-5-carboxylic acid
2OY
2OY
表記:N-[(2S,3S)-7-amino-1-chloro-2-hydroxyheptan-3-yl]-4-methylbenzenesulfonamide (Bound Form)
組成式:C14 H23 Cl N2 O3 S
SMILES:O=S(=O)(NC(CCCCN)C(O)CCl)c1ccc(cc1)C
InChi:InChI=1S/C14H23ClN2O3S/c1-11-5-7-12(8-6-11)21(19,20)17-13(14(18)10-15)4-2-3-9-16/h5-8,13-14,17-18H,2-4,9-10,16H2,1H3/t13-,14+/m0/s1
別名:Tosyllysine Chloromethyl Ketone (Bound Form)
定義日:2013-12-19
最終更新日:2024-09-27
公開日:2014-04-23
識別子（ID）:N-[(2S,3S)-7-amino-1-chloro-2-hydroxyheptan-3-yl]-4-methylbenzenesulfonamide
7TK
7TK
表記:(3S)-3-azanyl-4-oxidanylidene-4-pyrrolidin-1-yl-butanoic acid
組成式:C8 H14 N2 O3
SMILES:N[CH](CC(O)=O)C(=O)N1CCCC1
InChi:InChI=1S/C8H14N2O3/c9-6(5-7(11)12)8(13)10-3-1-2-4-10/h6H,1-5,9H2,(H,11,12)/t6-/m0/s1
定義日:2021-10-25
最終更新日:2024-09-27
公開日:2023-07-26
識別子（ID）:(3~{S})-3-azanyl-4-oxidanylidene-4-pyrrolidin-1-yl-butanoic acid
2P2
2P2
表記:1-[(2R,5S)-2-tert-butyl-5-({(2S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
組成式:C25 H38 N2 O4
SMILES:O=C(N2C(C(=O)N1C(C(O)CO)CCC1)CCC2C(C)(C)C)CCCc3ccccc3
InChi:InChI=1S/C25H38N2O4/c1-25(2,3)22-15-14-20(24(31)26-16-8-12-19(26)21(29)17-28)27(22)23(30)13-7-11-18-9-5-4-6-10-18/h4-6,9-10,19-22,28-29H,7-8,11-17H2,1-3H3/t19-,20-,21-,22+/m0/s1
定義日:2012-03-15
最終更新日:2024-09-27
識別子（ID）:(1R)-1-{(2S)-1-[(5R)-5-tert-butyl-1-(4-phenylbutanoyl)-L-prolyl]pyrrolidin-2-yl}ethane-1,2-diol
2P3
2P3
表記:5-[(2S)-2,3-dihydro-1,4-benzodioxin-2-yl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
組成式:C10 H9 N3 O2 S
SMILES:S=C1NN=C(N1)C2Oc3ccccc3OC2
InChi:InChI=1S/C10H9N3O2S/c16-10-11-9(12-13-10)8-5-14-6-3-1-2-4-7(6)15-8/h1-4,8H,5H2,(H2,11,12,13,16)/t8-/m1/s1
定義日:2013-12-23
最終更新日:2024-09-27
公開日:2014-08-20
識別子（ID）:5-[(2S)-2,3-dihydro-1,4-benzodioxin-2-yl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
2P4
2P4
表記:(5R)-N-benzyl-5-({(2S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)cyclopent-1-ene-1-carboxamide
組成式:C20 H26 N2 O4
SMILES:O=C(N1C(C(O)CO)CCC1)C3C(C(=O)NCc2ccccc2)=CCC3
InChi:InChI=1S/C20H26N2O4/c23-13-18(24)17-10-5-11-22(17)20(26)16-9-4-8-15(16)19(25)21-12-14-6-2-1-3-7-14/h1-3,6-8,16-18,23-24H,4-5,9-13H2,(H,21,25)/t16-,17+,18+/m1/s1
定義日:2012-03-15
最終更新日:2024-09-27
識別子（ID）:(5R)-N-benzyl-5-({(2S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)cyclopent-1-ene-1-carboxamide
2P8
2P8
表記:(2S)-N-benzyl-2-({(2S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)pyrrolidine-1-carboxamide
組成式:C19 H27 N3 O4
SMILES:O=C(N1C(C(O)CO)CCC1)C3N(C(=O)NCc2ccccc2)CCC3
InChi:InChI=1S/C19H27N3O4/c23-13-17(24)15-8-4-10-21(15)18(25)16-9-5-11-22(16)19(26)20-12-14-6-2-1-3-7-14/h1-3,6-7,15-17,23-24H,4-5,8-13H2,(H,20,26)/t15-,16-,17-/m0/s1
定義日:2012-03-15
最終更新日:2024-09-27
識別子（ID）:(2S)-N-benzyl-2-({(2S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)pyrrolidine-1-carboxamide
2PB
2PB
表記:2-[(DIOXIDOPHOSPHINO)OXY]BENZOATE
組成式:C7 H5 O5 P
SMILES:O=P([O-])Oc1ccccc1C([O-])=O
InChi:InChI=1S/C7H7O5P/c8-7(9)5-3-1-2-4-6(5)12-13(10)11/h1-4,13H,(H,8,9)(H,10,11)/p-2
定義日:2004-03-26
最終更新日:2024-09-27
識別子（ID）:2-[(dioxidophosphanyl)oxy]benzoate
2PP
2PP
表記:2-PROPYL-PENTANOIC ACID
組成式:C8 H16 O2
SMILES:O=C(O)C(CCC)CCC
InChi:InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:2-propylpentanoic acid
2Q7
2Q7
表記:N-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-1-(prop-2-enoyl)piperidine-4-carboxamide
組成式:C27 H35 F2 N11 O4
SMILES:C=CC(=O)N1CCC(CC1)C(=O)NCC(=O)N1CCN(CC1)c1nc(nc(n1)c1cnc(N)nc1C(F)F)N1CCOCC1
InChi:InChI=1S/C27H35F2N11O4/c1-2-19(41)37-5-3-17(4-6-37)24(43)31-16-20(42)38-7-9-39(10-8-38)26-34-23(18-15-32-25(30)33-21(18)22(28)29)35-27(36-26)40-11-13-44-14-12-40/h2,15,17,22H,1,3-14,16H2,(H,31,43)(H2,30,32,33)
定義日:2021-06-30
最終更新日:2024-09-27
公開日:2022-04-06
識別子（ID）:N-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-1-(prop-2-enoyl)piperidine-4-carboxamide

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