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060
060
表記:S-methyl-D-cysteine
組成式:C4 H9 N O2 S
SMILES:O=C(O)C(N)CSC
InChi:InChI=1S/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1
定義日:2013-01-25
最終更新日:2023-11-03
公開日:2013-03-20
識別子（ID）:S-methyl-D-cysteine
06E
06E
表記:6-[(11-bromanyl-6-oxidanylidene-8-thia-3,5,13-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl)methylamino]hexanoic acid
組成式:C16 H17 Br N4 O3 S
SMILES:OC(=O)CCCCCNCC1=Nc2c(sc3cc(Br)cnc23)C(=O)N1
InChi:InChI=1S/C16H17BrN4O3S/c17-9-6-10-13(19-7-9)14-15(25-10)16(24)21-11(20-14)8-18-5-3-1-2-4-12(22)23/h6-7,18H,1-5,8H2,(H,22,23)(H,20,21,24)
定義日:2021-05-28
最終更新日:2023-11-03
公開日:2021-08-04
識別子（ID）:6-[(11-bromanyl-6-oxidanylidene-8-thia-3,5,13-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl)methylamino]hexanoic acid
SEM
SEM
表記:O-benzyl-L-serine
組成式:C10 H13 N O3
SMILES:O=C(O)C(N)COCc1ccccc1
InChi:InChI=1S/C10H13NO3/c11-9(10(12)13)7-14-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1
別名:(2S)-2-azanyl-3-phenylmethoxy-propanoic acid
定義日:1999-07-08
最終更新日:2023-11-03
識別子（ID）:O-benzyl-L-serine
SGK
SGK
表記:2-(pyridin-2-ylmethylamino)ethanoic acid
組成式:C8 H10 N2 O2
SMILES:OC(=O)CNCc1ccccn1
InChi:InChI=1S/C8H10N2O2/c11-8(12)6-9-5-7-3-1-2-4-10-7/h1-4,9H,5-6H2,(H,11,12)
定義日:2020-11-16
最終更新日:2023-11-03
公開日:2021-12-01
識別子（ID）:2-(pyridin-2-ylmethylamino)ethanoic acid
SGZ
SGZ
表記:2-naphthalen-1-ylethanal
組成式:C12 H10 O
SMILES:O=CCc1cccc2ccccc12
InChi:InChI=1S/C12H10O/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,9H,8H2
定義日:2020-11-16
最終更新日:2023-11-03
公開日:2021-12-01
識別子（ID）:2-naphthalen-1-ylethanal
0AF
0AF
表記:7-hydroxy-L-tryptophan
組成式:C11 H12 N2 O3
SMILES:O=C(O)C(N)Cc2c1cccc(O)c1nc2
InChi:InChI=1S/C11H12N2O3/c12-8(11(15)16)4-6-5-13-10-7(6)2-1-3-9(10)14/h1-3,5,8,13-14H,4,12H2,(H,15,16)/t8-/m0/s1
定義日:2007-11-11
最終更新日:2023-11-03
識別子（ID）:7-hydroxy-L-tryptophan
SJ8
SJ8
表記:(~{E})-3-(4-fluorophenyl)prop-2-enoic acid
組成式:C9 H7 F O2
SMILES:OC(=O)C=Cc1ccc(F)cc1
InChi:InChI=1S/C9H7FO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H,11,12)/b6-3+
定義日:2020-11-16
最終更新日:2023-11-03
公開日:2021-12-01
識別子（ID）:(~{E})-3-(4-fluorophenyl)prop-2-enoic acid
0BN
0BN
表記:4-carbamimidoyl-L-phenylalanine
組成式:C10 H13 N3 O2
SMILES:O=C(O)C(N)Cc1ccc(cc1)C(=[N@H])N
InChi:InChI=1S/C10H13N3O2/c11-8(10(14)15)5-6-1-3-7(4-2-6)9(12)13/h1-4,8H,5,11H2,(H3,12,13)(H,14,15)/t8-/m0/s1
定義日:2010-09-25
最終更新日:2023-11-03
識別子（ID）:4-carbamimidoyl-L-phenylalanine
SKG
SKG
表記: 4-methylisoleucine
組成式:C7 H15 N O2
SMILES:CC(C)[CH](C)[CH](N)C(O)=O
InChi:InChI=1S/C7H15NO2/c1-4(2)5(3)6(8)7(9)10/h4-6H,8H2,1-3H3,(H,9,10)/t5-,6-/m0/s1
別名:2~{S},3~{S})-2-azanyl-3,4-dimethyl-pentanoic acid
定義日:2020-03-10
最終更新日:2023-11-03
公開日:2020-05-20
識別子（ID）:(2~{S},3~{S})-2-azanyl-3,4-dimethyl-pentanoic acid
0DQ
0DQ
表記:4-phenyl-1,2,3-thiadiazol-5-amine
組成式:C8 H7 N3 S
SMILES:n1nsc(c1c2ccccc2)N
InChi:InChI=1S/C8H7N3S/c9-8-7(10-11-12-8)6-4-2-1-3-5-6/h1-5H,9H2
定義日:2011-12-16
最終更新日:2023-11-03
識別子（ID）:4-phenyl-1,2,3-thiadiazol-5-amine
0E5
0E5
表記:(2S,3R)-2-azanyl-3-methyl-3-oxidanyl-pentanoic acid
組成式:C6 H13 N O3
SMILES:O=C(O)C(N)C(O)(C)CC
InChi:InChI=1S/C6H13NO3/c1-3-6(2,10)4(7)5(8)9/h4,10H,3,7H2,1-2H3,(H,8,9)/t4-,6?/m1/s1
定義日:2011-12-22
最終更新日:2023-11-03
識別子（ID）:(2S,3S)-2-amino-3-hydroxy-3-methylpentanoic acid (non-preferred name)
0EH
0EH
表記:(2R)-2-amino-2-methylnonanoic acid
組成式:C10 H21 N O2
SMILES:O=C(O)C(N)(CCCCCCC)C
InChi:InChI=1S/C10H21NO2/c1-3-4-5-6-7-8-10(2,11)9(12)13/h3-8,11H2,1-2H3,(H,12,13)/t10-/m1/s1
定義日:2011-12-26
最終更新日:2023-11-03
識別子（ID）:(2R)-2-amino-2-methylnonanoic acid
MHW
MHW
表記:3-HYDROXYPICOLINIC ACID
組成式:C6 H5 N O3
SMILES:O=C(O)c1ncccc1O
InChi:InChI=1S/C6H5NO3/c8-4-2-1-3-7-5(4)6(9)10/h1-3,8H,(H,9,10)
定義日:2010-07-15
最終更新日:2023-11-03
識別子（ID）:3-hydroxypyridine-2-carboxylic acid
MHY
MHY
表記:{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
組成式:C15 H15 F2 N3 O5
SMILES:NC(C1=N/C(C(N1CC(O)=O)=O)=Cc2cc(F)c(c(c2)F)O)C(O)C
InChi:InChI=1S/C15H15F2N3O5/c1-6(21)12(18)14-19-10(15(25)20(14)5-11(22)23)4-7-2-8(16)13(24)9(17)3-7/h2-4,6,12,21,24H,5,18H2,1H3,(H,22,23)/b10-4-/t6-,12+/m1/s1
定義日:2019-04-02
最終更新日:2023-11-03
公開日:2020-04-08
識別子（ID）:{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
MJ1
MJ1
表記:{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(2,3-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
組成式:C15 H15 F2 N3 O5
SMILES:C1(=NC(C(N1CC(O)=O)=O)=[C@H]c2c(c(F)c(cc2)O)F)C(C(O)C)N
InChi:InChI=1S/C15H15F2N3O5/c1-6(21)13(18)14-19-8(15(25)20(14)5-10(23)24)4-7-2-3-9(22)12(17)11(7)16/h2-4,6,13,21-22H,5,18H2,1H3,(H,23,24)/b8-4-/t6-,13+/m1/s1
定義日:2019-04-02
最終更新日:2023-11-03
公開日:2020-04-08
識別子（ID）:{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(2,3-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
MJR
MJR
表記:2-(3-chlorophenyl)-N-(3-methyl-1H-pyrazol-4-yl)acetamide
組成式:C12 H12 Cl N3 O
SMILES:O=C(Nc1c[NH]nc1C)Cc1cccc(Cl)c1
InChi:InChI=1S/C12H12ClN3O/c1-8-11(7-14-16-8)15-12(17)6-9-3-2-4-10(13)5-9/h2-5,7H,6H2,1H3,(H,14,16)(H,15,17)
定義日:2023-08-16
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:2-(3-chlorophenyl)-N-(3-methyl-1H-pyrazol-4-yl)acetamide
MKD
MKD
表記:(2S)-2-amino-2-methyloctanoic acid
組成式:C9 H19 N O2
SMILES:O=C(O)C(N)(CCCCCC)C
InChi:InChI=1S/C9H19NO2/c1-3-4-5-6-7-9(2,10)8(11)12/h3-7,10H2,1-2H3,(H,11,12)/t9-/m0/s1
定義日:2013-11-01
最終更新日:2023-11-03
公開日:2014-02-19
識別子（ID）:(2S)-2-amino-2-methyloctanoic acid
MKI
MKI
表記:2-(3-chlorophenyl)-N-methyl-N-(4-methylpyridin-3-yl)acetamide
組成式:C15 H15 Cl N2 O
SMILES:Cc1ccncc1N(C)C(=O)Cc1cccc(Cl)c1
InChi:InChI=1S/C15H15ClN2O/c1-11-6-7-17-10-14(11)18(2)15(19)9-12-4-3-5-13(16)8-12/h3-8,10H,9H2,1-2H3
定義日:2023-08-16
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:2-(3-chlorophenyl)-N-methyl-N-(4-methylpyridin-3-yl)acetamide
MN2
MN2
表記:1-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENE
組成式:C11 H17 N2 O2
SMILES:O=C(O)CCNCc1ccc(cc1)C[NH3+]
InChi:InChI=1S/C11H16N2O2/c12-7-9-1-3-10(4-2-9)8-13-6-5-11(14)15/h1-4,13H,5-8,12H2,(H,14,15)/p+1
定義日:1999-07-08
最終更新日:2023-11-03
識別子（ID）:(4-{[(2-carboxyethyl)amino]methyl}phenyl)methanaminium
MPR
MPR
表記:2-MERCAPTO-PROPION ALDEHYDE
組成式:C3 H6 O S
SMILES:O=CCCS
InChi:InChI=1S/C3H6OS/c4-2-1-3-5/h2,5H,1,3H2
定義日:1999-07-08
最終更新日:2023-11-03
識別子（ID）:3-sulfanylpropanal
MQ3
MQ3
表記:(2R)-2-cyclohexyl-N-(4-methylpyridin-3-yl)propanamide
組成式:C15 H22 N2 O
SMILES:O=C(Nc1cnccc1C)C(C)C1CCCCC1
InChi:InChI=1S/C15H22N2O/c1-11-8-9-16-10-14(11)17-15(18)12(2)13-6-4-3-5-7-13/h8-10,12-13H,3-7H2,1-2H3,(H,17,18)/t12-/m1/s1
定義日:2023-08-16
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(2R)-2-cyclohexyl-N-(4-methylpyridin-3-yl)propanamide
MS6
MS6
表記:(2S)-2-amino-4-(methylsulfanyl)butane-1-thiol
組成式:C5 H13 N S2
SMILES:C(N)(CS)CCSC
InChi:InChI=1S/C5H13NS2/c1-8-3-2-5(6)4-7/h5,7H,2-4,6H2,1H3/t5-/m0/s1
定義日:2020-09-03
最終更新日:2023-11-03
公開日:2020-09-23
識別子（ID）:(2S)-2-amino-4-(methylsulfanyl)butane-1-thiol
MTY
MTY
表記:META-TYROSINE
組成式:C9 H11 N O3
SMILES:O=C(O)C(N)Cc1cc(O)ccc1
InChi:InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-2-1-3-7(11)4-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
定義日:1999-07-08
最終更新日:2023-11-03
識別子（ID）:3-hydroxy-L-phenylalanine
MU3
MU3
表記:(4R)-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
組成式:C15 H16 N4 O2
SMILES:O=C(Nc1nncn1C1CC1)C1CCOc2ccccc21
InChi:InChI=1S/C15H16N4O2/c20-14(17-15-18-16-9-19(15)10-5-6-10)12-7-8-21-13-4-2-1-3-11(12)13/h1-4,9-10,12H,5-8H2,(H,17,18,20)/t12-/m1/s1
定義日:2023-08-16
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(4R)-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
MV9
MV9
表記:(2~{R})-3-methyl-2-(methylamino)butanoic acid
組成式:C6 H13 N O2
SMILES:CN[CH](C(C)C)C(O)=O
InChi:InChI=1S/C6H13NO2/c1-4(2)5(7-3)6(8)9/h4-5,7H,1-3H3,(H,8,9)/t5-/m1/s1
別名:N-Methyl-D-valine
定義日:2015-12-01
最終更新日:2023-11-03
公開日:2016-03-16
識別子（ID）:(2~{R})-3-methyl-2-(methylamino)butanoic acid

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