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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
HL5
HL5
表記:(2S,4R)-5-hydroxyleucine
組成式:C6 H13 N O3
SMILES:C[CH](CO)C[CH](N)C(O)=O
InChi:InChI=1S/C6H13NO3/c1-4(3-8)2-5(7)6(9)10/h4-5,8H,2-3,7H2,1H3,(H,9,10)/t4-,5+/m1/s1
定義日:2017-03-07
最終更新日:2024-09-27
公開日:2017-10-04
識別子（ID）:(2~{S},4~{R})-2-azanyl-4-methyl-5-oxidanyl-pentanoic acid
HLB
HLB
表記:5-[3,3-dimethyl-2-[5-(1,3,3-trimethylindol-2-ylidene)penta-1,3-dienyl]indol-1-ium-1-yl]-~{N}-[8-[[(1~{R},2~{S},3~{S},4~{S},5~{R})-2,3,4,5-tetrakis(oxidanyl)cyclohexyl]amino]octyl]pentanamide
組成式:C45 H65 N4 O5
SMILES:CN1c2ccccc2C(C)(C)C1=CC=CC=CC3=[N+](CCCCC(=O)NCCCCCCCCN[CH]4C[CH](O)[CH](O)[CH](O)[CH]4O)c5ccccc5C3(C)C
InChi:InChI=1S/C45H64N4O5/c1-44(2)32-21-13-15-23-35(32)48(5)38(44)25-11-10-12-26-39-45(3,4)33-22-14-16-24-36(33)49(39)30-20-17-27-40(51)47-29-19-9-7-6-8-18-28-46-34-31-37(50)42(53)43(54)41(34)52/h10-16,21-26,34,37,41-43,46,50,52-54H,6-9,17-20,27-31H2,1-5H3/p+1/t34-,37-,41+,42+,43+/m1/s1
定義日:2018-12-13
最終更新日:2024-09-27
公開日:2019-06-05
識別子（ID）:5-[3,3-dimethyl-2-[5-(1,3,3-trimethylindol-2-ylidene)penta-1,3-dienyl]indol-1-ium-1-yl]-~{N}-[8-[[(1~{R},2~{S},3~{S},4~{S},5~{R})-2,3,4,5-tetrakis(oxidanyl)cyclohexyl]amino]octyl]pentanamide
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
HLU
HLU
表記:BETA-HYDROXYLEUCINE
組成式:C6 H13 N O3
SMILES:O=C(O)C(N)C(O)C(C)C
InChi:InChI=1S/C6H13NO3/c1-3(2)5(8)4(7)6(9)10/h3-5,8H,7H2,1-2H3,(H,9,10)/t4-,5-/m0/s1
定義日:2004-02-02
最終更新日:2024-09-27
識別子（ID）:(2S,3S)-2-amino-3-hydroxy-4-methylpentanoic acid (non-preferred name)
HLX
HLX
表記:5-methyl-L-norleucine
組成式:C7 H15 N O2
SMILES:O=C(O)C(N)CCC(C)C
InChi:InChI=1S/C7H15NO2/c1-5(2)3-4-6(8)7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t6-/m0/s1
定義日:2013-03-28
最終更新日:2024-09-27
公開日:2013-06-12
識別子（ID）:5-methyl-L-norleucine
HLY
HLY
表記:(3~{R})-5-[[(5~{S})-5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl]amino]-3-methyl-3-oxidanyl-5-oxidanylidene-pentanoic acid
組成式:C12 H22 N2 O6
SMILES:C[C](O)(CC(O)=O)CC(=O)NCCCC[CH](N)C(O)=O
InChi:InChI=1S/C12H22N2O6/c1-12(20,7-10(16)17)6-9(15)14-5-3-2-4-8(13)11(18)19/h8,20H,2-7,13H2,1H3,(H,14,15)(H,16,17)(H,18,19)/t8-,12+/m0/s1
定義日:2017-07-22
最終更新日:2024-09-27
公開日:2017-11-29
識別子（ID）:(3~{R})-5-[[(5~{S})-5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl]amino]-3-methyl-3-oxidanyl-5-oxidanylidene-pentanoic acid
HM3
HM3
表記:(4-chloropyridin-2-yl)methanol
組成式:C6 H6 Cl N O
SMILES:Clc1ccnc(c1)CO
InChi:InChI=1S/C6H6ClNO/c7-5-1-2-8-6(3-5)4-9/h1-3,9H,4H2
別名:4-chloro-2-hydroxymethylpyridine
定義日:2011-04-14
最終更新日:2024-09-27
識別子（ID）:(4-chloropyridin-2-yl)methanol
HM7
HM7
表記:3-methylthioethane-pyrazinedione
組成式:C8 H10 N2 O3 S2
SMILES:O=C1N=C(O)C(=NC1=C(/S)O)CCSC
InChi:InChI=1S/C8H10N2O3S2/c1-15-3-2-4-6(11)10-7(12)5(9-4)8(13)14/h13-14H,2-3H2,1H3,(H,10,11,12)/b8-5-
定義日:2011-04-18
最終更新日:2024-09-27
識別子（ID）:(3Z)-6-hydroxy-3-[hydroxy(sulfanyl)methylidene]-5-[2-(methylsulfanyl)ethyl]pyrazin-2(3H)-one
HM8
HM8
表記:2-[(1S,2R)-1-amino-2-(sulfooxy)propyl]-5-hydroxy-1,3-oxazole-4-carbothioic O-acid
組成式:C7 H10 N2 O7 S2
SMILES:S=C(O)c1nc(oc1O)C(N)C(OS(=O)(=O)O)C
InChi:InChI=1S/C7H10N2O7S2/c1-2(16-18(12,13)14)3(8)5-9-4(7(11)17)6(10)15-5/h2-3,10H,8H2,1H3,(H,11,17)(H,12,13,14)/t2-,3+/m1/s1
定義日:2011-04-18
最終更新日:2024-09-27
識別子（ID）:2-[(1S,2R)-1-amino-2-(sulfooxy)propyl]-5-hydroxy-1,3-oxazole-4-carbothioic O-acid
HM9
HM9
表記:6-(3-CARBAMIMIDAMIDOPROPYL)-3,5-DIHYDROXYPYRAZINE-2-CARBOTHIOIC S-ACID
組成式:C9 H13 N5 O3 S
SMILES:O=C(S)c1nc(c(O)nc1O)CCCNC(=[N@H])N
InChi:InChI=1S/C9H13N5O3S/c10-9(11)12-3-1-2-4-6(15)14-7(16)5(13-4)8(17)18/h1-3H2,(H,17,18)(H4,10,11,12)(H2,14,15,16)
定義日:2011-04-18
最終更新日:2024-09-27
識別子（ID）:6-(3-carbamimidamidopropyl)-3,5-dihydroxypyrazine-2-carbothioic S-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
HMB
HMB
表記:(4S)-4-hydroxy-4-methoxybutanoic acid
組成式:C5 H10 O4
SMILES:O=C(O)CCC(O)OC
InChi:InChI=1S/C5H10O4/c1-9-5(8)3-2-4(6)7/h5,8H,2-3H2,1H3,(H,6,7)/t5-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:(4S)-4-hydroxy-4-methoxybutanoic 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
HMF
HMF
表記:2-AMINO-4-PHENYL-BUTYRIC ACID
組成式:C10 H13 N O2
SMILES:O=C(O)C(N)CCc1ccccc1
InChi:InChI=1S/C10H13NO2/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m1/s1
別名:D-BETA-HOMOPHENYLALANINE
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:(2R)-2-amino-4-phenylbutanoic acid
HMG
HMG
表記:3-HYDROXY-3-METHYLGLUTARYL-COENZYME A
組成式:C27 H39 N7 O20 P3 S
SMILES:[O-]C(=O)CC(O)(C)CC(=O)SCCNC(=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/C27H44N7O20P3S/c1-26(2,21(40)24(41)30-5-4-15(35)29-6-7-58-17(38)9-27(3,42)8-16(36)37)11-51-57(48,49)54-56(46,47)50-10-14-20(53-55(43,44)45)19(39)25(52-14)34-13-33-18-22(28)31-12-32-23(18)34/h12-14,19-21,25,39-40,42H,4-11H2,1-3H3,(H,29,35)(H,30,41)(H,36,37)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45)/p-5/t14-,19-,20-,21+,25-,27+/m1/s1
別名:(S)-HMG-COA
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:(9R,21S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)tetrahydrofuran-2-yl]-9,21-dihydroxy-8,8,21-trimethyl-3,5-dioxido-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oate 3,5-dioxide (non-preferred name)
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
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
HMR
HMR
表記:BETA-HOMOARGININE
組成式:C7 H16 N4 O2
SMILES:O=C(O)CC(N)CCCNC(=[N@H])N
InChi:InChI=1S/C7H16N4O2/c8-5(4-6(12)13)2-1-3-11-7(9)10/h5H,1-4,8H2,(H,12,13)(H4,9,10,11)/t5-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:(3S)-3-amino-6-carbamimidamidohexanoic acid
2P6
2P6
表記:(2S)-1-[1-(4-phenylbutanoyl)-L-prolyl]pyrrolidine-2-carbonitrile
組成式:C20 H25 N3 O2
SMILES:O=C(N1C(C#N)CCC1)C3N(C(=O)CCCc2ccccc2)CCC3
InChi:InChI=1S/C20H25N3O2/c21-15-17-10-5-13-22(17)20(25)18-11-6-14-23(18)19(24)12-4-9-16-7-2-1-3-8-16/h1-3,7-8,17-18H,4-6,9-14H2/t17-,18-/m0/s1
定義日:2012-03-15
最終更新日:2024-09-27
識別子（ID）:(2S)-1-[1-(4-phenylbutanoyl)-L-prolyl]pyrrolidine-2-carbonitrile
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

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