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MJ8
MJ8
表記:5'-({[(2R)-3-amino-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}propyl]sulfonyl}amino)-5'-deoxyadenosine
組成式:C24 H42 N9 O12 P S2
SMILES:O=S(NCC1C(O)C(O)C(O1)n2cnc3c2ncnc3N)(=O)CC(SCCNC(=O)CCNC(C(O)C(COP(=O)(O)O)(C)C)=O)CN
InChi:InChI=1S/C24H42N9O12PS2/c1-24(2,10-44-46(39,40)41)19(37)22(38)28-4-3-15(34)27-5-6-47-13(7-25)9-48(42,43)32-8-14-17(35)18(36)23(45-14)33-12-31-16-20(26)29-11-30-21(16)33/h11-14,17-19,23,32,35-37H,3-10,25H2,1-2H3,(H,27,34)(H,28,38)(H2,26,29,30)(H2,39,40,41)/t13-,14-,17-,18-,19+,23-/m1/s1
定義日:2016-12-20
最終更新日:2024-09-27
公開日:2017-05-10
識別子（ID）:5'-({[(2R)-3-amino-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}propyl]sulfonyl}amino)-5'-deoxyadenosine
1Z0
1Z0
表記:N-methyl-D-phenylalanyl-N-{(1S)-4-carbamimidamido-1-[(6-carboxy-1,3-benzothiazol-2-yl)carbonyl]butyl}-L-prolinamide
組成式:C29 H35 N7 O5 S
SMILES:O=C(N1CCCC1C(=O)NC(C(=O)c2nc3ccc(cc3s2)C(=O)O)CCCNC(=[N@H])N)C(NC)Cc4ccccc4
InChi:InChI=1S/C29H35N7O5S/c1-32-21(15-17-7-3-2-4-8-17)27(39)36-14-6-10-22(36)25(38)34-20(9-5-13-33-29(30)31)24(37)26-35-19-12-11-18(28(40)41)16-23(19)42-26/h2-4,7-8,11-12,16,20-22,32H,5-6,9-10,13-15H2,1H3,(H,34,38)(H,40,41)(H4,30,31,33)/t20-,21+,22-/m0/s1
別名:RWJ-51438
定義日:2008-08-15
最終更新日:2024-09-27
識別子（ID）:N-methyl-D-phenylalanyl-N-[(2S)-5-carbamimidamido-1-(6-carboxy-1,3-benzothiazol-2-yl)-1-oxopentan-2-yl]-L-prolinamide
1ZB
1ZB
表記:N-[(1S)-1-benzyl-3-diazen-1-iumylidene-2-oxopropyl]glycinamide
組成式:C12 H14 N4 O2
SMILES:[N-]=[N+]=CC(=O)C(NC(=O)CN)Cc1ccccc1
InChi:InChI=1S/C12H14N4O2/c13-7-12(18)16-10(11(17)8-15-14)6-9-4-2-1-3-5-9/h1-5,8,10H,6-7,13H2,(H,16,18)/t10-/m0/s1
定義日:2009-03-11
最終更新日:2024-09-27
識別子（ID）:N-[(2S)-4-diazo-3-oxo-1-phenylbutan-2-yl]glycinamide
1ZG
1ZG
表記:N-(3-carboxypropanoyl)-L-valyl-N-{(1R)-1-[(S)-hydroxy(oxido)phosphanyl]-2-phenylethyl}-L-prolinamide
組成式:C22 H32 N3 O8 P
SMILES:O=C(NC(Cc1ccccc1)P(=O)(O)O)C2N(C(=O)C(NC(=O)CCC(=O)O)C(C)C)CCC2
InChi:InChI=1S/C22H32N3O8P/c1-14(2)20(23-17(26)10-11-19(27)28)22(30)25-12-6-9-16(25)21(29)24-18(34(31,32)33)13-15-7-4-3-5-8-15/h3-5,7-8,14,16,18,20H,6,9-13H2,1-2H3,(H,23,26)(H,24,29)(H,27,28)(H2,31,32,33)/t16-,18+,20-/m0/s1
定義日:2008-08-25
最終更新日:2024-09-27
識別子（ID）:N-(3-carboxypropanoyl)-L-valyl-N-[(1R)-2-phenyl-1-phosphonoethyl]-L-prolinamide
1ZN
1ZN
表記:(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid
組成式:C20 H29 N O3
SMILES:O=C(O)C(C)C(N)/C=C/C(=C/C(C(OC)Cc1ccccc1)C)C
InChi:InChI=1S/C20H29NO3/c1-14(10-11-18(21)16(3)20(22)23)12-15(2)19(24-4)13-17-8-6-5-7-9-17/h5-12,15-16,18-19H,13,21H2,1-4H3,(H,22,23)/b11-10+,14-12+/t15-,16-,18-,19-/m0/s1
定義日:2008-12-11
最終更新日:2024-09-27
識別子（ID）:(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid
MK7
MK7
表記:(2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide
組成式:C12 H22 N4 O6 S
SMILES:O=CN2C(C(=O)NC1CCNCC1)CCC(NOS(=O)(=O)O)C2
InChi:InChI=1S/C12H22N4O6S/c17-8-16-7-10(15-22-23(19,20)21)1-2-11(16)12(18)14-9-3-5-13-6-4-9/h8-11,13,15H,1-7H2,(H,14,18)(H,19,20,21)/t10-,11+/m1/s1
別名:MK-7655, bound form
定義日:2013-11-27
最終更新日:2024-09-27
公開日:2014-02-19
識別子（ID）:(2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide
MK8
MK8
表記:2-methyl-L-norleucine
組成式:C7 H15 N O2
SMILES:O=C(O)C(N)(CCCC)C
InChi:InChI=1S/C7H15NO2/c1-3-4-5-7(2,8)6(9)10/h3-5,8H2,1-2H3,(H,9,10)/t7-/m0/s1
定義日:2010-04-16
最終更新日:2024-09-27
識別子（ID）:2-methyl-L-norleucine
0UZ
0UZ
表記:(2R)-amino(3-chloro-4-hydroxyphenyl)ethanoic acid
組成式:C8 H8 Cl N O3
SMILES:Clc1cc(ccc1O)C(C(=O)O)N
InChi:InChI=1S/C8H8ClNO3/c9-5-3-4(1-2-6(5)11)7(10)8(12)13/h1-3,7,11H,10H2,(H,12,13)/t7-/m1/s1
定義日:2012-06-27
最終更新日:2024-09-27
識別子（ID）:(2R)-amino(3-chloro-4-hydroxyphenyl)ethanoic acid
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:2024-09-27
公開日:2014-02-19
識別子（ID）:(2S)-2-amino-2-methyloctanoic acid
MKE
MKE
表記:(4S)-4-AMINO-5-OXOHEXANOIC ACID
組成式:C6 H11 N O3
SMILES:O=C(C(N)CCC(=O)O)C
InChi:InChI=1S/C6H11NO3/c1-4(8)5(7)2-3-6(9)10/h5H,2-3,7H2,1H3,(H,9,10)/t5-/m0/s1
別名:METHYLKETONE GLUTAMATE
定義日:2006-06-14
最終更新日:2024-09-27
識別子（ID）:(4S)-4-amino-5-oxohexanoic acid
MKF
MKF
表記:(2~{S})-2-azanyl-3-(dimethylcarbamoyloxy)propanoic acid
組成式:C6 H12 N2 O4
SMILES:CN(C)C(=O)OC[CH](N)C(O)=O
InChi:InChI=1S/C6H12N2O4/c1-8(2)6(11)12-3-4(7)5(9)10/h4H,3,7H2,1-2H3,(H,9,10)/t4-/m0/s1
定義日:2022-07-27
最終更新日:2024-09-27
公開日:2023-02-01
識別子（ID）:(2~{S})-2-azanyl-3-(dimethylcarbamoyloxy)propanoic acid
0V5
0V5
表記:(2R)-2-(phosphonooxy)propanoic acid
組成式:C3 H7 O6 P
SMILES:O=P(OC(C(=O)O)C)(O)O
InChi:InChI=1S/C3H7O6P/c1-2(3(4)5)9-10(6,7)8/h2H,1H3,(H,4,5)(H2,6,7,8)/t2-/m1/s1
定義日:2012-06-29
最終更新日:2024-09-27
識別子（ID）:(2R)-2-(phosphonooxy)propanoic acid
ML3
ML3
表記:2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-N,N,N-trimethylethanaminium
組成式:C8 H19 N2 O2 S
SMILES:O=C(O)C(N)CSCC[N+](C)(C)C
InChi:InChI=1S/C8H18N2O2S/c1-10(2,3)4-5-13-6-7(9)8(11)12/h7H,4-6,9H2,1-3H3/p+1/t7-/m0/s1
定義日:2008-02-19
最終更新日:2024-09-27
識別子（ID）:2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-N,N,N-trimethylethanaminium
MLA
MLA
表記:MALONIC ACID
組成式:C3 H4 O4
SMILES:O=C(O)CC(=O)O
InChi:InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
別名:DICARBOXYLIC ACID C3
定義日:2001-08-17
最終更新日:2024-09-27
識別子（ID）:propanedioic acid
0W0
0W0
表記:(4R,5S,8Z)-8-(2-amino-1,3-thiazol-4-yl)-1-[3-(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)-1,2-oxazol-5-yl]-5-formyl-11,11-dimethyl-1,7-dioxo-4-(sulfoamino)-10-oxa-2,6,9-triazadodec-8-en-12-oic acid
組成式:C22 H24 N8 O13 S2
SMILES:O=C1C=C(N(O)C=C1O)c2noc(c2)C(=O)NCC(NS(=O)(=O)O)C(C=O)NC(=O)C(=NOC(C(=O)O)(C)C)/c3nc(sc3)N
InChi:InChI=1S/C22H24N8O13S2/c1-22(2,20(36)37)43-28-17(12-8-44-21(23)26-12)19(35)25-11(7-31)10(29-45(39,40)41)5-24-18(34)16-3-9(27-42-16)13-4-14(32)15(33)6-30(13)38/h3-4,6-8,10-11,29,33,38H,5H2,1-2H3,(H2,23,26)(H,24,34)(H,25,35)(H,36,37)(H,39,40,41)/b28-17-/t10-,11-/m1/s1
定義日:2012-07-16
最終更新日:2024-09-27
公開日:2012-10-12
識別子（ID）:(4R,5S,8Z)-8-(2-amino-1,3-thiazol-4-yl)-1-[3-(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)-1,2-oxazol-5-yl]-5-formyl-11,11-dimethyl-1,7-dioxo-4-(sulfoamino)-10-oxa-2,6,9-triazadodec-8-en-12-oic acid
MLE
MLE
表記:N-METHYLLEUCINE
組成式:C7 H15 N O2
SMILES:O=C(O)C(NC)CC(C)C
InChi:InChI=1S/C7H15NO2/c1-5(2)4-6(8-3)7(9)10/h5-6,8H,4H2,1-3H3,(H,9,10)/t6-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:N-methyl-L-leucine
MLI
MLI
表記:MALONATE ION
組成式:C3 H2 O4
SMILES:[O-]C(=O)CC([O-])=O
InChi:InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)/p-2
定義日:2003-06-12
最終更新日:2024-09-27
識別子（ID）:propanedioate
0W5
0W5
表記:(2E,4E)-11-methyldodeca-2,4-dienoic acid
組成式:C13 H22 O2
SMILES:O=C(O)C=CC=CCCCCCC(C)C
InChi:InChI=1S/C13H22O2/c1-12(2)10-8-6-4-3-5-7-9-11-13(14)15/h5,7,9,11-12H,3-4,6,8,10H2,1-2H3,(H,14,15)/b7-5+,11-9+
定義日:2012-07-19
最終更新日:2024-09-27
公開日:2012-10-19
識別子（ID）:(2E,4E)-11-methyldodeca-2,4-dienoic acid
0W6
0W6
表記:(4S)-4-aminopentanoic acid
組成式:C5 H11 N O2
SMILES:O=C(O)CCC(N)C
InChi:InChI=1S/C5H11NO2/c1-4(6)2-3-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
別名:(2E,4S)-4-aminopent-2-enoic acid, Bound form
定義日:2012-07-19
最終更新日:2024-09-27
公開日:2012-10-19
識別子（ID）:(4S)-4-aminopentanoic acid
MLL
MLL
表記:METHYL L-LEUCINATE
組成式:C7 H15 N O2
SMILES:O=C(OC)C(N)CC(C)C
InChi:InChI=1S/C7H15NO2/c1-5(2)4-6(8)7(9)10-3/h5-6H,4,8H2,1-3H3/t6-/m0/s1
定義日:2006-10-02
最終更新日:2024-09-27
識別子（ID）:methyl L-leucinate
MLU
MLU
表記:N-methyl-D-leucine
組成式:C7 H15 N O2
SMILES:O=C(O)C(NC)CC(C)C
InChi:InChI=1S/C7H15NO2/c1-5(2)4-6(8-3)7(9)10/h5-6,8H,4H2,1-3H3,(H,9,10)/t6-/m1/s1
定義日:2010-08-06
最終更新日:2024-09-27
識別子（ID）:N-methyl-D-leucine
MLX
MLX
表記:N-{3-[(2-chloro-acetyl)-(4-nitro-phenyl)-amino]-propyl}-2,2,2-trifluoro-acetamide
組成式:C13 H13 Cl F3 N3 O4
SMILES:FC(F)(F)C(=O)NCCCN(C(=O)CCl)c1ccc(cc1)[N+]([O-])=O
InChi:InChI=1S/C13H13ClF3N3O4/c14-8-11(21)19(7-1-6-18-12(22)13(15,16)17)9-2-4-10(5-3-9)20(23)24/h2-5H,1,6-8H2,(H,18,22)
定義日:2017-03-09
最終更新日:2024-09-27
公開日:2017-12-20
識別子（ID）:N-{3-[(chloroacetyl)(4-nitrophenyl)amino]propyl}-2,2,2-trifluoroacetamide
0WN
0WN
表記:N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)butanamide
組成式:C24 H27 Cl F N5 O3
SMILES:Fc1ccc(cc1Cl)Nc4ncnc3cc(OC2CCOC2)c(cc34)NC(=O)CCCN(C)C
InChi:InChI=1S/C24H27ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h5-6,10-12,14,16H,3-4,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/t16-/m0/s1
別名:Afatinib, bound form
定義日:2012-07-27
最終更新日:2024-09-27
公開日:2012-08-24
識別子（ID）:N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)butanamide
MLY
MLY
表記:N-DIMETHYL-LYSINE
組成式:C8 H18 N2 O2
SMILES:O=C(O)C(N)CCCCN(C)C
InChi:InChI=1S/C8H18N2O2/c1-10(2)6-4-3-5-7(9)8(11)12/h7H,3-6,9H2,1-2H3,(H,11,12)/t7-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:N~6~,N~6~-dimethyl-L-lysine
0WO
0WO
表記:(2R,4S)-2-[(R)-carboxy{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carbo xylic acid
組成式:C19 H21 N3 O6 S
SMILES:O=C(NC(C(=O)O)C1SC(C(N1)C(=O)O)(C)C)c3c(onc3c2ccccc2)C
InChi:InChI=1S/C19H21N3O6S/c1-9-11(12(22-28-9)10-7-5-4-6-8-10)15(23)20-13(17(24)25)16-21-14(18(26)27)19(2,3)29-16/h4-8,13-14,16,21H,1-3H3,(H,20,23)(H,24,25)(H,26,27)/t13-,14-,16+/m0/s1
別名:Oxacillin, hydroxylated form
定義日:2012-07-27
最終更新日:2024-09-27
識別子（ID）:(2R,4S)-2-[(R)-carboxy{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

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