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3CD
3CD
表記:3-(CHLOROACETYL) PYRIDINE ADENINE DINUCLEOTIDE
組成式:C22 H28 Cl N6 O14 P2
SMILES:Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)[n+]5cccc(c5)C(=O)CCl)[CH](O)[CH]3O
InChi:InChI=1S/C22H27ClN6O14P2/c23-4-11(30)10-2-1-3-28(5-10)21-17(33)15(31)12(41-21)6-39-44(35,36)43-45(37,38)40-7-13-16(32)18(34)22(42-13)29-9-27-14-19(24)25-8-26-20(14)29/h1-3,5,8-9,12-13,15-18,21-22,31-34H,4,6-7H2,(H3-,24,25,26,35,36,37,38)/p+1/t12-,13-,15-,16-,17-,18-,21-,22-/m1/s1
別名:3-CAPAD
定義日:2010-02-10
最終更新日:2024-09-27
識別子（ID）:[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-[3-(2-chloroethanoyl)pyridin-1-ium-1-yl]-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate
3CF
3CF
表記:3-cyano-L-phenylalanine
組成式:C10 H10 N2 O2
SMILES:O=C(O)C(N)Cc1cccc(C#N)c1
InChi:InChI=1S/C10H10N2O2/c11-6-8-3-1-2-7(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）:3-cyano-L-phenylalanine
NX0
NX0
表記:1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)propan-1-one
組成式:C10 H12 N2 O2
SMILES:CCC(=O)N1CCOc2ncccc12
InChi:InChI=1S/C10H12N2O2/c1-2-9(13)12-6-7-14-10-8(12)4-3-5-11-10/h3-5H,2,6-7H2,1H3
別名:1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)prop-2-en-1-one (precursor)
定義日:2022-08-24
最終更新日:2024-09-27
公開日:2022-09-28
識別子（ID）:1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)propan-1-one
NX6
NX6
表記:N-[(benzyloxy)carbonyl]-L-aspartic acid
組成式:C12 H13 N O6
SMILES:O=C(O)C(NC(=O)OCc1ccccc1)CC(=O)O
InChi:InChI=1S/C12H13NO6/c14-10(15)6-9(11(16)17)13-12(18)19-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,18)(H,14,15)(H,16,17)/t9-/m0/s1
定義日:2011-01-26
最終更新日:2024-09-27
識別子（ID）:N-[(benzyloxy)carbonyl]-L-aspartic acid
3CT
3CT
表記:3-chloro-L-tyrosine
組成式:C9 H10 Cl N O3
SMILES:Clc1cc(ccc1O)CC(C(=O)O)N
InChi:InChI=1S/C9H10ClNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1
定義日:2013-12-18
最終更新日:2024-09-27
公開日:2015-08-19
識別子（ID）:3-chloro-L-tyrosine
NXA
NXA
表記:N-CARBOXYALANINE
組成式:C4 H7 N O4
SMILES:O=C(O)C(NC(=O)O)C
InChi:InChI=1S/C4H7NO4/c1-2(3(6)7)5-4(8)9/h2,5H,1H3,(H,6,7)(H,8,9)/t2-/m0/s1
定義日:2002-11-26
最終更新日:2024-09-27
識別子（ID）:N-carboxy-L-alanine
3CY
3CY
表記:(3S)-3-[({(2S)-5-[(N-ACETYL-L-ALPHA-ASPARTYL)AMINO]-4-OXO-1,2,4,5,6,7-HEXAHYDROAZEPINO[3,2,1-HI]INDOL-2-YL}CARBONYL)AMINO]-5-(BENZYLSULFANYL)-4-OXOPENTANOIC ACID
組成式:C31 H34 N4 O9 S
SMILES:O=C(O)CC(C(=O)CSCc1ccccc1)NC(=O)C4N3c2c(cccc2CCC(C3=O)NC(=O)C(NC(=O)C)CC(=O)O)C4
InChi:InChI=1S/C31H34N4O9S/c1-17(36)32-23(14-27(40)41)29(42)33-21-11-10-19-8-5-9-20-12-24(35(28(19)20)31(21)44)30(43)34-22(13-26(38)39)25(37)16-45-15-18-6-3-2-4-7-18/h2-9,21-24H,10-16H2,1H3,(H,32,36)(H,33,42)(H,34,43)(H,38,39)(H,40,41)/t21-,22-,23-,24-/m0/s1
定義日:2003-11-24
最終更新日:2024-09-27
識別子（ID）:(3S)-3-[({(2S,5S)-5-[(N-acetyl-L-alpha-aspartyl)amino]-4-oxo-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indol-2-yl}carbonyl)amino]-5-(benzylsulfanyl)-4-oxopentanoic acid
NXC
NXC
表記:(2,6-bis[(dimethylamino-kappaN)methyl]-4-{3-[(S)-ethoxy(4-nitrophenoxy)phosphoryl]propyl}phenyl-kappaC~1~)(chloro)platinum(2+)
組成式:C23 H33 Cl N3 O5 P Pt
SMILES:CCO[P](=O)(CCCc1cc2CN(C)(C)|[Pt]3(Cl)|N(C)(C)Cc(c1)c23)Oc4ccc(cc4)[N+]([O-])=O
InChi:InChI=1S/C23H33N3O5P.ClH.Pt/c1-6-30-32(29,31-23-11-9-22(10-12-23)26(27)28)13-7-8-19-14-20(17-24(2)3)16-21(15-19)18-25(4)5
別名:ethyl 4-nitrophenyl P-[3-(4-(chloroplatino)-1,3-bis > [(dimethylamino)methyl]-phenyl)propyl]phosphonate
定義日:2008-09-12
最終更新日:2024-09-27
NXI
NXI
表記:~{N}-(1~{H}-indazol-5-ylmethyl)propanamide
組成式:C11 H13 N3 O
SMILES:CCC(=O)NCc1ccc2[nH]ncc2c1
InChi:InChI=1S/C11H13N3O/c1-2-11(15)12-6-8-3-4-10-9(5-8)7-13-14-10/h3-5,7H,2,6H2,1H3,(H,12,15)(H,13,14)
別名:N-(1H-indazol-5-ylmethyl)prop-2-enamide (precursor)
定義日:2022-08-24
最終更新日:2024-09-27
公開日:2022-09-28
識別子（ID）:~{N}-(1~{H}-indazol-5-ylmethyl)propanamide
NXL
NXL
表記:(2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide
組成式:C7 H13 N3 O6 S
SMILES:O=CN1C(C(N)=O)CCC(C1)NOS(=O)(O)=O
InChi:InChI=1S/C7H13N3O6S/c8-7(12)6-2-1-5(3-10(6)4-11)9-16-17(13,14)15/h4-6,9H,1-3H2,(H2,8,12)(H,13,14,15)/t5-,6+/m1/s1
別名:avibactam, bound form
定義日:2012-01-25
最終更新日:2024-09-27
識別子（ID）:(2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide
NXN
NXN
表記:2-(2,4-DICHLORO-PHENOXY)-N-(2-MERCAPTO-ETHYL)-ACETAMIDE
組成式:C10 H11 Cl2 N O2 S
SMILES:Clc1cc(Cl)ccc1OCC(=O)NCCS
InChi:InChI=1S/C10H11Cl2NO2S/c11-7-1-2-9(8(12)5-7)15-6-10(14)13-3-4-16/h1-2,5,16H,3-4,6H2,(H,13,14)
別名:DICA
定義日:2004-02-27
最終更新日:2024-09-27
識別子（ID）:2-(2,4-dichlorophenoxy)-N-(2-sulfanylethyl)acetamide
NXT
NXT
表記:4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid
組成式:C9 H10 O3
SMILES:OC(=O)c1coc2CCCCc12
InChi:InChI=1S/C9H10O3/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h5H,1-4H2,(H,10,11)
定義日:2020-01-07
最終更新日:2024-09-27
公開日:2020-11-25
識別子（ID）:4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid
NXU
NXU
表記:(2R,4S)-2-[(1R)-2-hydroxy-1-{[(2-hydroxynaphthalen-1-yl)carbonyl]amino}ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
組成式:C19 H22 N2 O5 S
SMILES:O=C(NC(C1SC(C(N1)C(=O)O)(C)C)CO)c3c2ccccc2ccc3O
InChi:InChI=1S/C19H22N2O5S/c1-19(2)15(18(25)26)21-17(27-19)12(9-22)20-16(24)14-11-6-4-3-5-10(11)7-8-13(14)23/h3-8,12,15,17,21-23H,9H2,1-2H3,(H,20,24)(H,25,26)/t12-,15+,17-/m1/s1
定義日:2014-09-12
最終更新日:2024-09-27
公開日:2014-09-24
識別子（ID）:(2R,4S)-2-[(1R)-2-hydroxy-1-{[(2-hydroxynaphthalen-1-yl)carbonyl]amino}ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
NY0
NY0
表記:1-(3-oxidanyl-2~{H}-quinoxalin-1-yl)propan-1-one
組成式:C11 H12 N2 O2
SMILES:CCC(=O)N1CC(=Nc2ccccc12)O
InChi:InChI=1S/C11H12N2O2/c1-2-11(15)13-7-10(14)12-8-5-3-4-6-9(8)13/h3-6H,2,7H2,1H3,(H,12,14)
別名:4-prop-2-enoyl-1,3-dihydroquinoxalin-2-one (precursor)
定義日:2022-08-24
最終更新日:2024-09-27
公開日:2022-09-28
識別子（ID）:1-(3-oxidanyl-2~{H}-quinoxalin-1-yl)propan-1-one
3DR
3DR
表記:1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATE
組成式:C5 H11 O6 P
SMILES:O=P(OCC1OCCC1O)(O)O
InChi:InChI=1S/C5H11O6P/c6-4-1-2-10-5(4)3-11-12(7,8)9/h4-6H,1-3H2,(H2,7,8,9)/t4-,5+/m0/s1
別名:ABASIC DIDEOXYRIBOSE
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:1,4-anhydro-2-deoxy-5-O-phosphono-D-erythro-pentitol
3DS
3DS
表記:(4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid
組成式:C7 H8 O5
SMILES:O=C1C=C(C(=O)O)CC(O)C1O
InChi:InChI=1S/C7H8O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,5-6,9-10H,2H2,(H,11,12)/t5-,6-/m1/s1
別名:3-dehydroshikimate
定義日:2010-05-27
最終更新日:2024-09-27
識別子（ID）:(4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid
NYB
NYB
表記:N-METHYL-S-[(1R)-1-METHYLPROPYL]-L-CYSTEINE
組成式:C8 H17 N O2 S
SMILES:O=C(O)C(NC)CSC(CC)C
InChi:InChI=1S/C8H17NO2S/c1-4-6(2)12-5-7(9-3)8(10)11/h6-7,9H,4-5H2,1-3H3,(H,10,11)/t6-,7+/m1/s1
定義日:2010-07-14
最終更新日:2024-09-27
識別子（ID）:N-methyl-S-[(1R)-1-methylpropyl]-L-cysteine
N
N
表記:ANY 5'-MONOPHOSPHATE NUCLEOTIDE
組成式:C5 H11 O7 P
SMILES:O=P(OCC1OCC(O)C1O)(O)O
InChi:InChI=1S/C5H11O7P/c6-3-1-11-4(5(3)7)2-12-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5-/m0/s1
別名:1-DEOXY-RIBOFURANOSE-5'-PHOSPHATE
定義日:1999-07-13
最終更新日:2024-09-27
識別子（ID）:1,4-anhydro-5-O-phosphono-D-ribitol
3E5
3E5
表記:N-[(benzyloxy)carbonyl]-L-leucyl-N-{(2S,3S)-1-[(2,4-dimethylphenyl)amino]-2-hydroxy-5-methyl-1-oxohexan-3-yl}-L-leucinamide
組成式:C35 H52 N4 O6
SMILES:O=C(Nc1ccc(cc1C)C)C(O)C(NC(=O)C(NC(=O)C(NC(=O)OCc2ccccc2)CC(C)C)CC(C)C)CC(C)C
InChi:InChI=1S/C35H52N4O6/c1-21(2)16-28(31(40)34(43)36-27-15-14-24(7)19-25(27)8)37-32(41)29(17-22(3)4)38-33(42)30(18-23(5)6)39-35(44)45-20-26-12-10-9-11-13-26/h9-15,19,21-23,28-31,40H,16-18,20H2,1-8H3,(H,36,43)(H,37,41)(H,38,42)(H,39,44)/t28-,29-,30-,31-/m0/s1
定義日:2014-08-05
最終更新日:2024-09-27
公開日:2014-08-13
識別子（ID）:N-[(benzyloxy)carbonyl]-L-leucyl-N-{(2S,3S)-1-[(2,4-dimethylphenyl)amino]-2-hydroxy-5-methyl-1-oxohexan-3-yl}-L-leucinamide
NYG
NYG
表記:[(4Z)-2-[(1S)-1,3-DIAMINO-3-OXOPROPYL]-4-(4-HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID
組成式:C15 H16 N4 O5
SMILES:O=C(N)CC(N)C1=N/C(C(=O)N1CC(=O)O)=Cc2ccc(O)cc2
InChi:InChI=1S/C15H16N4O5/c16-10(6-12(17)21)14-18-11(15(24)19(14)7-13(22)23)5-8-1-3-9(20)4-2-8/h1-5,10,20H,6-7,16H2,(H2,17,21)(H,22,23)/b11-5-/t10-/m0/s1
別名:CHROMOPHORE (ASN-TYR-GLY)
定義日:2007-01-19
最終更新日:2024-09-27
識別子（ID）:{(4Z)-2-[(1S)-1,3-diamino-3-oxopropyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
NYQ
NYQ
表記:5-bromanyl-1,3-dihydroindol-2-one
組成式:C8 H6 Br N O
SMILES:Brc1ccc2NC(=O)Cc2c1
InChi:InChI=1S/C8H6BrNO/c9-6-1-2-7-5(3-6)4-8(11)10-7/h1-3H,4H2,(H,10,11)
定義日:2020-01-10
最終更新日:2024-09-27
公開日:2020-11-25
識別子（ID）:5-bromanyl-1,3-dihydroindol-2-one
3EG
3EG
表記:(2S)-2-amino-4,4,4-trifluorobutanoic acid
組成式:C4 H6 F3 N O2
SMILES:FC(F)(F)CC(N)C(=O)O
InChi:InChI=1S/C4H6F3NO2/c5-4(6,7)1-2(8)3(9)10/h2H,1,8H2,(H,9,10)/t2-/m0/s1
定義日:2011-10-13
最終更新日:2024-09-27
識別子（ID）:(2S)-2-amino-4,4,4-trifluorobutanoic acid
NYS
NYS
表記:S-{5-[(1R)-2-amino-1-hydroxyethyl]-2,3-dihydroxyphenyl}-L-cysteine
組成式:C11 H16 N2 O5 S
SMILES:O=C(O)C(N)CSc1cc(cc(O)c1O)C(O)CN
InChi:InChI=1S/C11H16N2O5S/c12-3-8(15)5-1-7(14)10(16)9(2-5)19-4-6(13)11(17)18/h1-2,6,8,14-16H,3-4,12-13H2,(H,17,18)/t6-,8-/m0/s1
定義日:2007-10-08
最終更新日:2024-09-27
識別子（ID）:S-{5-[(1R)-2-amino-1-hydroxyethyl]-2,3-dihydroxyphenyl}-L-cysteine
NYX
NYX
表記:2-chloranyl-~{N}-(1~{H}-indazol-5-ylmethyl)ethanamide
組成式:C10 H10 Cl N3 O
SMILES:ClCC(=O)NCc1ccc2[nH]ncc2c1
InChi:InChI=1S/C10H10ClN3O/c11-4-10(15)12-5-7-1-2-9-8(3-7)6-13-14-9/h1-3,6H,4-5H2,(H,12,15)(H,13,14)
定義日:2022-08-25
最終更新日:2024-09-27
公開日:2022-09-28
識別子（ID）:2-chloranyl-~{N}-(1~{H}-indazol-5-ylmethyl)ethanamide
NZ6
NZ6
表記:1-[6-[4-(5-chloranyl-6-methyl-1~{H}-indazol-4-yl)-5-methyl-3-phenyl-pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one
組成式:C27 H28 Cl N5 O
SMILES:CCC(=O)N1CC2(CC(C2)n3nc(c4ccccc4)c(c3C)c5c(Cl)c(C)cc6[nH]ncc56)C1
InChi:InChI=1S/C27H28ClN5O/c1-4-22(34)32-14-27(15-32)11-19(12-27)33-17(3)23(26(31-33)18-8-6-5-7-9-18)24-20-13-29-30-21(20)10-16(2)25(24)28/h5-10,13,19H,4,11-12,14-15H2,1-3H3,(H,29,30)
別名:[6-[4-(5-chloro-6-methyl-1H-indazol-4-yl)-5-methyl-3-phenyl-pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]prop-2-en-1-one (precursor)
定義日:2022-08-25
最終更新日:2024-09-27
公開日:2022-12-07
識別子（ID）:1-[6-[4-(5-chloranyl-6-methyl-1~{H}-indazol-4-yl)-5-methyl-3-phenyl-pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one

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