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KY4
KY4
表記:{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(2,3-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
組成式:C14 H13 F2 N3 O4 S
SMILES:NC(CS)C1=N/C(C(N1CC(O)=O)=O)=Cc2c(F)c(F)c(cc2)O
InChi:InChI=1S/C14H13F2N3O4S/c15-11-6(1-2-9(20)12(11)16)3-8-14(23)19(4-10(21)22)13(18-8)7(17)5-24/h1-3,7,20,24H,4-5,17H2,(H,21,22)/b8-3-/t7-/m0/s1
別名:CHROMOPHORE (CYS-TYR-GLY)-2,3-F
定義日:2019-01-23
最終更新日:2024-09-27
公開日:2019-06-12
識別子（ID）:{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(2,3-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
KY7
KY7
表記:{(4Z)-2-[(1S)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
組成式:C14 H14 N4 O6 S
SMILES:NC(CS)C1=N/C(C(N1CC(=O)O)=O)=Cc2cc(c(cc2)O)[N+](=O)[O-]
InChi:InChI=1S/C14H14N4O6S/c15-8(6-25)13-16-9(14(22)17(13)5-12(20)21)3-7-1-2-11(19)10(4-7)18(23)24/h1-4,8,19,25H,5-6,15H2,(H,20,21)/b9-3-/t8-/m1/s1
別名:CHROMOPHORE (CYS-TYR-GLY)-3-NO2
定義日:2019-01-23
最終更新日:2024-09-27
公開日:2019-06-12
識別子（ID）:{(4Z)-2-[(1S)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
KYN
KYN
表記:(2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid
組成式:C10 H12 N2 O3
SMILES:O=C(c1ccccc1N)CC(C(=O)O)N
InChi:InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/m0/s1
別名:L-KYNURENINE
定義日:2004-05-16
最終更新日:2024-09-27
識別子（ID）:(2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid
KYQ
KYQ
表記:(E)-N~6~-(1-carboxy-2-hydroxyethylidene)-L-lysine
組成式:C9 H16 N2 O5
SMILES:O=C(O)C(N)CCCC/N=C(/C(=O)O)CO
InChi:InChI=1S/C9H16N2O5/c10-6(8(13)14)3-1-2-4-11-7(5-12)9(15)16/h6,12H,1-5,10H2,(H,13,14)(H,15,16)/b11-7+/t6-/m0/s1
定義日:2008-04-04
最終更新日:2024-09-27
識別子（ID）:(E)-N~6~-(1-carboxy-2-hydroxyethylidene)-L-lysine
KZ0
KZ0
表記:2,4,6-tris(chloromethyl)-1,3,5-triazine
組成式:C6 H6 Cl3 N3
SMILES:ClCc1nc(CCl)nc(CCl)n1
InChi:InChI=1S/C6H6Cl3N3/c7-1-4-10-5(2-8)12-6(3-9)11-4/h1-3H2
別名:Chemical crosslinker
定義日:2022-06-08
最終更新日:2024-09-27
公開日:2023-06-28
識別子（ID）:2,4,6-tris(chloromethyl)-1,3,5-triazine
KZ1
KZ1
表記:{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-5-oxo-4-[(2,3,5-trifluoro-4-hydroxyphenyl)methylidene]-4,5-dihydro-1H-imidazol-1-yl}acetic acid
組成式:C14 H12 F3 N3 O4 S
SMILES:NC(CS)C1=N/C(C(N1CC(=O)O)=O)=Cc2c(c(c(c(c2)F)O)F)F
InChi:InChI=1S/C14H12F3N3O4S/c15-6-1-5(10(16)11(17)12(6)23)2-8-14(24)20(3-9(21)22)13(19-8)7(18)4-25/h1-2,7,23,25H,3-4,18H2,(H,21,22)/b8-2-/t7-/m0/s1
別名:CHROMOPHORE (CYS-TYR-GLY)-(2,3,5-F3Y)
定義日:2019-01-25
最終更新日:2024-09-27
公開日:2019-06-12
識別子（ID）:{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-5-oxo-4-[(2,3,5-trifluoro-4-hydroxyphenyl)methylidene]-4,5-dihydro-1H-imidazol-1-yl}acetic acid
KZ4
KZ4
表記:{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(3-bromo-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
組成式:C14 H14 Br N3 O4 S
SMILES:NC(CS)C=1N(C(=O)C(N=1)=[C@H]c2cc(c(cc2)O)Br)CC(=O)O
InChi:InChI=1S/C14H14BrN3O4S/c15-8-3-7(1-2-11(8)19)4-10-14(22)18(5-12(20)21)13(17-10)9(16)6-23/h1-4,9,19,23H,5-6,16H2,(H,20,21)/b10-4-/t9-/m0/s1
別名:CHROMOPHORE (CYS-TYR-GLY)3-Br
定義日:2019-01-25
最終更新日:2024-09-27
公開日:2019-06-12
識別子（ID）:{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(3-bromo-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
KZ7
KZ7
表記:{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(3-chloro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
組成式:C14 H14 Cl N3 O4 S
SMILES:NC(CS)C=1N(CC(=O)O)C(=O)C(N=1)=[C@H]c2ccc(c(c2)Cl)O
InChi:InChI=1S/C14H14ClN3O4S/c15-8-3-7(1-2-11(8)19)4-10-14(22)18(5-12(20)21)13(17-10)9(16)6-23/h1-4,9,19,23H,5-6,16H2,(H,20,21)/t9-/m0/s1
別名:CHROMOPHORE (CYS-TYR-GLY)3-Cl
定義日:2019-01-25
最終更新日:2024-09-27
公開日:2019-06-12
識別子（ID）:{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(3-chloro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
KZG
KZG
表記:{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-iodophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}aceti c acid
組成式:C14 H14 I N3 O4 S
SMILES:NC(CS)C1=N/C(C(N1CC(O)=O)=O)=Cc2cc(c(cc2)O)I
InChi:InChI=1S/C14H14IN3O4S/c15-8-3-7(1-2-11(8)19)4-10-14(22)18(5-12(20)21)13(17-10)9(16)6-23/h1-4,9,19,23H,5-6,16H2,(H,20,21)/b10-4-/t9-/m0/s1
別名:CHROMOPHORE (CYS-TYR-GLY)3-I
定義日:2019-01-28
最終更新日:2024-09-27
公開日:2019-06-12
識別子（ID）:{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-iodophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
KZV
KZV
表記:{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(3-fluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}ace tic acid
組成式:C14 H14 F N3 O4 S
SMILES:NC(CS)C=1N(CC(=O)O)C(=O)C(N=1)=[C@H]c2cc(F)c(cc2)O
InChi:InChI=1S/C14H14FN3O4S/c15-8-3-7(1-2-11(8)19)4-10-14(22)18(5-12(20)21)13(17-10)9(16)6-23/h1-4,9,19,23H,5-6,16H2,(H,20,21)/t9-/m0/s1
別名:CHROMOPHORE (CYS-TYR-GLY)-3F
定義日:2019-01-28
最終更新日:2024-09-27
公開日:2019-06-12
識別子（ID）:{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(3-fluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
KZY
KZY
表記:{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-methylphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
組成式:C15 H17 N3 O4 S
SMILES:NC(CS)C1=N/C(C(N1CC(=O)O)=O)=Cc2cc(c(cc2)O)C
InChi:InChI=1S/C15H17N3O4S/c1-8-4-9(2-3-12(8)19)5-11-15(22)18(6-13(20)21)14(17-11)10(16)7-23/h2-5,10,19,23H,6-7,16H2,1H3,(H,20,21)/b11-5-/t10-/m0/s1
別名:CHROMOPHORE (CYS-TYR-GLY)3-CH3
定義日:2019-01-28
最終更新日:2024-09-27
公開日:2019-06-12
識別子（ID）:{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-methylphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
L0S
L0S
表記:methyl (R)-N-[(1E)-1-(diethylamino)ethylidene]-P-methylphosphonamidate
組成式:C8 H19 N2 O2 P
SMILES:COP(/N=C(/N(CC)CC)C)(=O)C
InChi:InChI=1S/C8H19N2O2P/c1-6-10(7-2)8(3)9-13(5,11)12-4/h6-7H2,1-5H3/b9-8+/t13-/m1/s1
別名:A-232
定義日:2019-01-30
最終更新日:2024-09-27
公開日:2020-07-01
識別子（ID）:methyl (R)-N-[(1E)-1-(diethylamino)ethylidene]-P-methylphosphonamidate
L1M
L1M
表記:ethyl (R)-N-[(1E)-1-(diethylamino)ethylidene]phosphonamidate
組成式:C8 H19 N2 O2 P
SMILES:C(C)N(/C(C)=N/P(OCC)=O)CC
InChi:InChI=1S/C8H19N2O2P/c1-5-10(6-2)8(4)9-13(11)12-7-3/h13H,5-7H2,1-4H3/b9-8+
定義日:2019-01-31
最終更新日:2024-09-27
公開日:2020-07-01
識別子（ID）:ethyl (R)-N-[(1E)-1-(diethylamino)ethylidene]phosphonamidate
L2F
L2F
表記:N-(1-naphthylsulfonyl)-(L)-isoleucyl-(L)-tryptophanol
組成式:C27 H31 N3 O4 S
SMILES:CC[CH](C)[CH](N[S](=O)(=O)c1cccc2ccccc12)C(=O)N[CH](CO)Cc3c[nH]c4ccccc34
InChi:InChI=1S/C27H31N3O4S/c1-3-18(2)26(30-35(33,34)25-14-8-10-19-9-4-5-12-23(19)25)27(32)29-21(17-31)15-20-16-28-24-13-7-6-11-22(20)24/h4-14,16,18,21,26,28,30-31H,3,15,17H2,1-2H3,(H,29,32)/t18-,21-,26-/m0/s1
別名:(2~{S},3~{S})-~{N}-[(2~{S})-1-(1~{H}-indol-3-yl)-3-oxidanyl-propan-2-yl]-3-methyl-2-(naphthalen-1-ylsulfonylamino)pentanamide
定義日:2022-06-14
最終更新日:2024-09-27
公開日:2023-07-05
識別子（ID）:(2~{S},3~{S})-~{N}-[(2~{S})-1-(1~{H}-indol-3-yl)-3-oxidanyl-propan-2-yl]-3-methyl-2-(naphthalen-1-ylsulfonylamino)pentanamide
L2O
L2O
表記:(2S,3R)-3-amino-2-hydroxy-5-methylhexanoic acid
組成式:C7 H15 N O3
SMILES:O=C(O)C(O)C(N)CC(C)C
InChi:InChI=1S/C7H15NO3/c1-4(2)3-5(8)6(9)7(10)11/h4-6,9H,3,8H2,1-2H3,(H,10,11)/t5-,6+/m1/s1
定義日:2010-10-09
最終更新日:2024-09-27
識別子（ID）:(2S,3R)-3-amino-2-hydroxy-5-methylhexanoic acid
L2P
L2P
表記:2,3-DI-PHYTANYL-GLYCEROL
組成式:C43 H88 O3
SMILES:OCC(OCCC(CCCC(CCCC(C)CCCC(C)C)C)C)COCCC(C)CCCC(C)CCCC(C)CCCC(C)C
InChi:InChI=1S/C43H88O3/c1-35(2)17-11-19-37(5)21-13-23-39(7)25-15-27-41(9)29-31-45-34-43(33-44)46-32-30-42(10)28-16-26-40(8)24-14-22-38(6)20-12-18-36(3)4/h35-44H,11-34H2,1-10H3/t37-,38-,39-,40-,41-,42-,43-/m1/s1
別名:1,2-DI-1-(3,7,11,15-TETRAMETHYL-HEXADECANE)-SN-GLYCEROL
定義日:1999-09-22
最終更新日:2024-09-27
識別子（ID）:(2R)-2,3-bis{[(3R,7R,11R)-3,7,11,15-tetramethylhexadecyl]oxy}propan-1-ol
L2Y
L2Y
表記:(S)-N-[(1E)-1-(diethylamino)ethylidene]-P-methylphosphonamidic fluoride
組成式:C7 H16 F N2 O P
SMILES:CCN(CC)C(C)=NP(C)(=O)F
InChi:InChI=1S/C7H16FN2OP/c1-5-10(6-2)7(3)9-12(4,8)11/h5-6H2,1-4H3/b9-7+/t12-/m0/s1
別名:A-230 (Nerve agent)
定義日:2019-02-01
最終更新日:2024-09-27
公開日:2020-07-01
識別子（ID）:(S)-N-[(1E)-1-(diethylamino)ethylidene]-P-methylphosphonamidic fluoride
L3F
L3F
表記:(phenylmethyl) N-[(2S)-3-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]amino]butan-2-yl]carbamate
組成式:C22 H28 N2 O4
SMILES:CC(C)[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](CO)Cc2ccccc2
InChi:InChI=1S/C22H28N2O4/c1-16(2)20(24-22(27)28-15-18-11-7-4-8-12-18)21(26)23-19(14-25)13-17-9-5-3-6-10-17/h3-12,16,19-20,25H,13-15H2,1-2H3,(H,23,26)(H,24,27)/t19-,20-/m0/s1
別名:benzyl N-[(2S)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
定義日:2022-06-14
最終更新日:2024-09-27
公開日:2023-07-05
識別子（ID）:(phenylmethyl) ~{N}-[(2~{S})-3-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanyl-3-phenyl-propan-2-yl]amino]butan-2-yl]carbamate
L3O
L3O
表記:(2S,3S)-3-amino-2-hydroxy-5-methylhexanoic acid
組成式:C7 H15 N O3
SMILES:O=C(O)C(O)C(N)CC(C)C
InChi:InChI=1S/C7H15NO3/c1-4(2)3-5(8)6(9)7(10)11/h4-6,9H,3,8H2,1-2H3,(H,10,11)/t5-,6-/m0/s1
定義日:2009-05-03
最終更新日:2024-09-27
識別子（ID）:(2S,3S)-3-amino-2-hydroxy-5-methylhexanoic acid
L4C
L4C
表記:(2E)-2-{[(2S)-2-(ACETYLAMINO)-2-CARBOXYETHOXY]IMINO}PENTANEDIOIC ACID
組成式:C10 H14 N2 O8
SMILES:O=C(O)C(=NOCC(NC(=O)C)C(=O)O)CCC(=O)O
InChi:InChI=1S/C10H14N2O8/c1-5(13)11-7(10(18)19)4-20-12-6(9(16)17)2-3-8(14)15/h7H,2-4H2,1H3,(H,11,13)(H,14,15)(H,16,17)(H,18,19)/b12-6+/t7-/m0/s1
別名:LACTIVICIN
定義日:2007-01-15
最終更新日:2024-09-27
識別子（ID）:(2E)-2-{[(2S)-2-(acetylamino)-2-carboxyethoxy]imino}pentanedioic acid
L4F
L4F
表記:2-[4-[[(2~{S})-1-oxidanylidene-3-phenyl-1-[[(3~{S})-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]amino]propan-2-yl]carbamoyl]piperazin-1-yl]ethyl 4-carbamimidamidobenzoate
組成式:C41 H49 N7 O6 S
SMILES:NC(=N)Nc1ccc(cc1)C(=O)OCCN2CCN(CC2)C(=O)N[CH](Cc3ccccc3)C(=O)N[CH](CCc4ccccc4)CC[S](=O)(=O)c5ccccc5
InChi:InChI=1S/C41H49N7O6S/c42-40(43)45-34-20-17-33(18-21-34)39(50)54-28-27-47-23-25-48(26-24-47)41(51)46-37(30-32-12-6-2-7-13-32)38(49)44-35(19-16-31-10-4-1-5-11-31)22-29-55(52,53)36-14-8-3-9-15-36/h1-15,17-18,20-21,35,37H,16,19,22-30H2,(H,44,49)(H,46,51)(H4,42,43,45)/t35-,37-/m0/s1
定義日:2022-11-10
最終更新日:2024-09-27
公開日:2023-12-13
識別子（ID）:2-[4-[[(2~{S})-1-oxidanylidene-3-phenyl-1-[[(3~{S})-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]amino]propan-2-yl]carbamoyl]piperazin-1-yl]ethyl 4-carbamimidamidobenzoate
L4R
L4R
表記:Fmoc-(R)-2-(7-octenyl)alanine
組成式:C11 H21 N O2
SMILES:C[C](N)(CCCCCCC=C)C(O)=O
InChi:InChI=1S/C11H21NO2/c1-3-4-5-6-7-8-9-11(2,12)10(13)14/h3H,1,4-9,12H2,2H3,(H,13,14)/t11-/m1/s1
定義日:2022-06-16
最終更新日:2024-09-27
公開日:2022-07-20
識別子（ID）:(2~{R})-2-azanyl-2-methyl-dec-9-enoic acid
L5P
L5P
表記:(2S)-2-azanyl-6-[[(3R,4R)-3,4-bis(oxidanyl)-2-oxidanylidene-5-phosphonooxy-pentyl]amino]hexanoic acid
組成式:C11 H23 N2 O9 P
SMILES:NC(C(O)=O)CCCCNCC(=O)C(O)C(COP(O)(O)=O)O
InChi:InChI=1S/C11H23N2O9P/c12-7(11(17)18)3-1-2-4-13-5-8(14)10(16)9(15)6-22-23(19,20)21/h7,9-10,13,15-16H,1-6,12H2,(H,17,18)(H2,19,20,21)/t7-,9+,10-/m0/s1
定義日:2014-11-17
最終更新日:2024-09-27
公開日:2015-01-14
識別子（ID）:(2S)-2-amino-6-{[(3R,4R)-3,4-dihydroxy-2-oxo-5-(phosphonooxy)pentyl]amino}hexanoic acid (non-preferred name)
L61
L61
表記:2-methylpropyl N-[(1R)-3-oxidanylidene-1-phenyl-propyl]carbamate
組成式:C14 H19 N O3
SMILES:O=C(OCC(C)C)NC(c1ccccc1)CC=O
InChi:InChI=1S/C14H19NO3/c1-11(2)10-18-14(17)15-13(8-9-16)12-6-4-3-5-7-12/h3-7,9,11,13H,8,10H2,1-2H3,(H,15,17)/t13-/m1/s1
定義日:2013-02-11
最終更新日:2024-09-27
公開日:2013-05-22
識別子（ID）:2-methylpropyl [(1R)-3-oxo-1-phenylpropyl]carbamate
L62
L62
表記:cyclopentyl N-[(1R)-3-oxidanylidene-1-phenyl-propyl]carbamate
組成式:C15 H19 N O3
SMILES:O=C(OC1CCCC1)NC(c2ccccc2)CC=O
InChi:InChI=1S/C15H19NO3/c17-11-10-14(12-6-2-1-3-7-12)16-15(18)19-13-8-4-5-9-13/h1-3,6-7,11,13-14H,4-5,8-10H2,(H,16,18)/t14-/m1/s1
定義日:2013-02-11
最終更新日:2024-09-27
公開日:2013-05-22
識別子（ID）:cyclopentyl [(1R)-3-oxo-1-phenylpropyl]carbamate

238895

件を2025-07-16に公開中

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