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1KC
1KC
表記:(3S)-7-methylsulfanyl-3-oxidanyl-hept-4-enoic acid
組成式:C8 H14 O3 S
SMILES:CSCCC=C[CH](O)CC(O)=O
InChi:InChI=1S/C8H14O3S/c1-12-5-3-2-4-7(9)6-8(10)11/h2,4,7,9H,3,5-6H2,1H3,(H,10,11)/b4-2-/t7-/m1/s1
定義日:2013-03-04
最終更新日:2024-09-27
公開日:2014-03-05
識別子（ID）:(3S)-7-methylsulfanyl-3-oxidanyl-hept-4-enoic acid
ZFI
ZFI
表記:N-[2-(methanesulfonyl)phenyl]acetamide
組成式:C9 H11 N O3 S
SMILES:O=S(C)(=O)c1ccccc1NC(C)=O
InChi:InChI=1S/C9H11NO3S/c1-7(11)10-8-5-3-4-6-9(8)14(2,12)13/h3-6H,1-2H3,(H,10,11)
定義日:2023-06-23
最終更新日:2024-09-27
公開日:2023-07-12
識別子（ID）:N-[2-(methanesulfonyl)phenyl]acetamide
ZFJ
ZFJ
表記:(4aP)-N,N-diethyl-9,9-dimethyl-7-[(1E)-prop-1-en-1-yl]-9H-fluoren-2-amine
組成式:C22 H27 N
SMILES:CCN(CC)c1ccc2c3ccc(cc3C(C)(C)c2c1)C=CC
InChi:InChI=1S/C22H27N/c1-6-9-16-10-12-18-19-13-11-17(23(7-2)8-3)15-21(19)22(4,5)20(18)14-16/h6,9-15H,7-8H2,1-5H3/b9-6+
定義日:2021-04-16
最終更新日:2024-09-27
公開日:2022-01-12
識別子（ID）:(4aP)-N,N-diethyl-9,9-dimethyl-7-[(1E)-prop-1-en-1-yl]-9H-fluoren-2-amine
ZFP
ZFP
表記:1-(4-{5-[(2E)-but-2-en-2-yl]thiophen-2-yl}phenyl)azetidine
組成式:C17 H19 N S
SMILES:C/C(=CC)c1ccc(s1)c1ccc(cc1)N1CCC1
InChi:InChI=1S/C17H19NS/c1-3-13(2)16-9-10-17(19-16)14-5-7-15(8-6-14)18-11-4-12-18/h3,5-10H,4,11-12H2,1-2H3/b13-3+
定義日:2021-04-17
最終更新日:2024-09-27
公開日:2022-01-12
識別子（ID）:1-(4-{5-[(2E)-but-2-en-2-yl]thiophen-2-yl}phenyl)azetidine
NVA
NVA
表記:NORVALINE
組成式:C5 H11 N O2
SMILES:O=C(O)C(N)CCC
InChi:InChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:L-norvaline
FRW
FRW
表記:4-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxo-pentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]carbamoyl]benzoic acid
組成式:C24 H30 F3 N3 O6
SMILES:O=C(NC(C(=O)C(F)(F)F)C(C)C)C2N(C(=O)C(NC(=O)c1ccc(C(=O)O)cc1)C(C)C)CCC2
InChi:InChI=1S/C24H30F3N3O6/c1-12(2)17(19(31)24(25,26)27)28-21(33)16-6-5-11-30(16)22(34)18(13(3)4)29-20(32)14-7-9-15(10-8-14)23(35)36/h7-10,12-13,16-18H,5-6,11H2,1-4H3,(H,28,33)(H,29,32)(H,35,36)/t16-,17-,18-/m0/s1
定義日:2009-05-26
最終更新日:2024-09-27
識別子（ID）:N-[(4-carboxyphenyl)carbonyl]-L-valyl-N-[(1S)-3,3,3-trifluoro-1-(1-methylethyl)-2-oxopropyl]-L-prolinamide
ZG0
ZG0
表記:N-(3-methylphenyl)acetamide
組成式:C9 H11 N O
SMILES:O=C(C)Nc1cc(C)ccc1
InChi:InChI=1S/C9H11NO/c1-7-4-3-5-9(6-7)10-8(2)11/h3-6H,1-2H3,(H,10,11)
定義日:2023-06-23
最終更新日:2024-09-27
公開日:2023-07-12
識別子（ID）:N-(3-methylphenyl)acetamide
YFZ
YFZ
表記:(-)-Galantinic acid
組成式:C7 H15 N O5
SMILES:N[CH](CO)[CH](O)C[CH](O)CC(O)=O
InChi:InChI=1S/C7H15NO5/c8-5(3-9)6(11)1-4(10)2-7(12)13/h4-6,9-11H,1-3,8H2,(H,12,13)/t4-,5-,6-/m0/s1
別名:(3S,5S,6S)-6-azanyl-3,5,7-tris(oxidanyl)heptanoic acid
定義日:2023-12-04
最終更新日:2024-09-27
公開日:2024-07-24
識別子（ID）:(3~{S},5~{S},6~{S})-6-azanyl-3,5,7-tris(oxidanyl)heptanoic acid
YTH
YTH
表記:O-phosphono-L-allothreonine
組成式:C4 H10 N O6 P
SMILES:O=P(OC(C)C(N)C(=O)O)(O)O
InChi:InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3-/m0/s1
定義日:2014-10-07
最終更新日:2024-09-27
公開日:2014-12-03
識別子（ID）:O-phosphono-L-allothreonine
ZG6
ZG6
表記:N-(3-methyl-1,2-oxazol-5-yl)acetamide
組成式:C6 H8 N2 O2
SMILES:O=C(C)Nc1cc(C)no1
InChi:InChI=1S/C6H8N2O2/c1-4-3-6(10-8-4)7-5(2)9/h3H,1-2H3,(H,7,9)
定義日:2023-06-23
最終更新日:2024-09-27
公開日:2023-07-12
識別子（ID）:N-(3-methyl-1,2-oxazol-5-yl)acetamide
ZX0
ZX0
表記:(3R)-1-[(4S)-azepan-4-ylcarbamoyl]-3-(sulfoamino)-L-proline
組成式:C12 H22 N4 O6 S
SMILES:O=S(=O)(O)NC2C(C(=O)O)N(C(=O)NC1CCCNCC1)CC2
InChi:InChI=1S/C12H22N4O6S/c17-11(18)10-9(15-23(20,21)22)4-7-16(10)12(19)14-8-2-1-5-13-6-3-8/h8-10,13,15H,1-7H2,(H,14,19)(H,17,18)(H,20,21,22)/t8-,9+,10-/m0/s1
定義日:2009-12-03
最終更新日:2024-09-27
識別子（ID）:(3R)-1-[(4S)-azepan-4-ylcarbamoyl]-3-(sulfoamino)-L-proline
ZX1
ZX1
表記:(3R)-1-[(4R)-AZEPAN-4-YLCARBAMOYL]-3-(SULFOAMINO)-L-PROLINE
組成式:C12 H22 N4 O6 S
SMILES:O=S(=O)(O)NC2C(C(=O)O)N(C(=O)NC1CCCNCC1)CC2
InChi:InChI=1S/C12H22N4O6S/c17-11(18)10-9(15-23(20,21)22)4-7-16(10)12(19)14-8-2-1-5-13-6-3-8/h8-10,13,15H,1-7H2,(H,14,19)(H,17,18)(H,20,21,22)/t8-,9-,10+/m1/s1
定義日:2009-12-03
最終更新日:2024-09-27
識別子（ID）:(3R)-1-[(4R)-azepan-4-ylcarbamoyl]-3-(sulfoamino)-L-proline
1KR
1KR
表記:benzyl [(2S)-1-({(2R)-1-[(1S,2S)-2-{[(2R,3S,4S)-3-formyl-2-hydroxy-4-methylhexanoyl]amino}cyclopropyl]-4-phenylbutan-2-yl}amino)-1-oxopropan-2-yl]carbamate
組成式:C32 H43 N3 O6
SMILES:O=C(NC3CC3CC(NC(=O)C(NC(=O)OCc1ccccc1)C)CCc2ccccc2)C(O)C(C=O)C(C)CC
InChi:InChI=1S/C32H43N3O6/c1-4-21(2)27(19-36)29(37)31(39)35-28-18-25(28)17-26(16-15-23-11-7-5-8-12-23)34-30(38)22(3)33-32(40)41-20-24-13-9-6-10-14-24/h5-14,19,21-22,25-29,37H,4,15-18,20H2,1-3H3,(H,33,40)(H,34,38)(H,35,39)/t21-,22-,25+,26+,27-,28-,29+/m0/s1
定義日:2013-03-12
最終更新日:2024-09-27
公開日:2013-04-17
識別子（ID）:benzyl [(2S)-1-({(2R)-1-[(1S,2S)-2-{[(2R,3S,4S)-3-formyl-2-hydroxy-4-methylhexanoyl]amino}cyclopropyl]-4-phenylbutan-2-yl}amino)-1-oxopropan-2-yl]carbamate
ZGE
ZGE
表記:5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-3-fluoro-D-glycero-D-galacto-non-2-enonic acid
組成式:C12 H19 F N4 O7
SMILES:O=C(C)NC1C(N/C(N)=N)C(F)=C(OC1C(O)C(CO)O)C(O)=O
InChi:InChI=1S/C12H19FN4O7/c1-3(19)16-7-6(17-12(14)15)5(13)9(11(22)23)24-10(7)8(21)4(20)2-18/h4,6-8,10,18,20-21H,2H2,1H3,(H,16,19)(H,22,23)(H4,14,15,17)/t4-,6+,7-,8-,10-/m1/s1
別名:(2R,3R,4R)-3-acetamido-4-carbamimidamido-5-fluoranyl-2-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]-3,4-dihydro-2H-pyran-6-carb oxylic acid
定義日:2012-10-31
最終更新日:2024-09-27
公開日:2013-05-01
識別子（ID）:5-(acetylamino)-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-3-fluoro-D-glycero-D-galacto-non-2-enonic acid
ZGF
ZGF
表記:N-(6-chloro-2H-1,3-benzodioxol-5-yl)acetamide
組成式:C9 H8 Cl N O3
SMILES:CC(=O)Nc1cc2OCOc2cc1Cl
InChi:InChI=1S/C9H8ClNO3/c1-5(12)11-7-3-9-8(2-6(7)10)13-4-14-9/h2-3H,4H2,1H3,(H,11,12)
定義日:2023-06-23
最終更新日:2024-09-27
公開日:2023-07-12
識別子（ID）:N-(6-chloro-2H-1,3-benzodioxol-5-yl)acetamide
ZGL
ZGL
表記:D-alpha-glutamine
組成式:C5 H10 N2 O3
SMILES:O=C(N)C(N)CCC(=O)O
InChi:InChI=1S/C5H10N2O3/c6-3(5(7)10)1-2-4(8)9/h3H,1-2,6H2,(H2,7,10)(H,8,9)/t3-/m1/s1
別名:Iso-D-glutamine
定義日:2011-10-27
最終更新日:2024-09-27
識別子（ID）:D-alpha-glutamine
ZGM
ZGM
表記:(4S)-4-hydroxy-2-oxoheptanedioic acid
組成式:C7 H10 O6
SMILES:O=C(CC(O)CCC(O)=O)C(=O)O
InChi:InChI=1S/C7H10O6/c8-4(1-2-6(10)11)3-5(9)7(12)13/h4,8H,1-3H2,(H,10,11)(H,12,13)/t4-/m0/s1
定義日:2021-04-20
最終更新日:2024-09-27
公開日:2021-07-14
識別子（ID）:(4S)-4-hydroxy-2-oxoheptanedioic acid
FSH
FSH
表記: (2R,3S,4S)-5-[(4R)-6',7'-dimethyl-2,3',5-trioxo-1'H-spiro[imidazolidine-4,2'-quinoxalin]-4'(3'H)-yl]-2,3,4-trihydroxypentyl-adenosine diphosphate
組成式:C27 H35 N9 O16 P2
SMILES:O=C1NC(=O)NC13Nc2cc(c(cc2N(C3=O)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C)C
InChi:InChI=1S/C27H35N9O16P2/c1-10-3-12-13(4-11(10)2)35(25(43)27(33-12)24(42)32-26(44)34-27)5-14(37)18(39)15(38)6-49-53(45,46)52-54(47,48)50-7-16-19(40)20(41)23(51-16)36-9-31-17-21(28)29-8-30-22(17)36/h3-4,8-9,14-16,18-20,23,33,37-41H,5-7H2,1-2H3,(H,45,46)(H,47,48)(H2,28,29,30)(H2,32,34,42,44)/t14-,15+,16+,18-,19+,20+,23+,27+/m0/s1
定義日:2008-06-04
最終更新日:2024-09-27
識別子（ID）:[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[(4R)-6',7'-dimethyl-2,3',5-trioxo-1'H-spiro[imidazolidine-4,2'-quinoxalin]-4'(3'H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)
FSI
FSI
表記:5-acetamido-3,5-dideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid
組成式:C11 H18 F N O9
SMILES:O=C(O)C1(O)OC(C(NC(=O)C)C(O)C1F)C(O)C(O)CO
InChi:InChI=1S/C11H18FNO9/c1-3(15)13-5-7(18)9(12)11(21,10(19)20)22-8(5)6(17)4(16)2-14/h4-9,14,16-18,21H,2H2,1H3,(H,13,15)(H,19,20)/t4-,5-,6-,7-,8-,9-,11+/m1/s1
別名:5-(acetylamino)-3,5-dideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid
定義日:2004-01-19
最終更新日:2024-09-27
識別子（ID）:5-(acetylamino)-3,5-dideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid
ZGQ
ZGQ
表記:N-[(2-methylphenyl)methyl]acetamide
組成式:C10 H13 N O
SMILES:CC(=O)NCc1ccccc1C
InChi:InChI=1S/C10H13NO/c1-8-5-3-4-6-10(8)7-11-9(2)12/h3-6H,7H2,1-2H3,(H,11,12)
定義日:2023-06-23
最終更新日:2024-09-27
公開日:2023-07-12
識別子（ID）:N-[(2-methylphenyl)methyl]acetamide
NW3
NW3
表記:(2S,4S)-2-[(1S)-1-{[(2S)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
組成式:C16 H21 N3 O4 S
SMILES:O=C(NC(C=O)C1NC(C(=O)O)C(C)(C)S1)C(N)c1ccccc1
InChi:InChI=1S/C16H21N3O4S/c1-16(2)12(15(22)23)19-14(24-16)10(8-20)18-13(21)11(17)9-6-4-3-5-7-9/h3-8,10-12,14,19H,17H2,1-2H3,(H,18,21)(H,22,23)/t10-,11-,12-,14-/m0/s1
定義日:2022-04-11
最終更新日:2024-09-27
公開日:2022-05-25
識別子（ID）:(2S,4S)-2-[(1S)-1-{[(2S)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
ZXM
ZXM
表記:1-{(2R)-2-(dihydroxyboranyl)-2-[(thiophen-2-ylacetyl)amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid
組成式:C11 H13 B N4 O5 S
SMILES:O=C(NC(B(O)O)Cn1nnc(C(=O)O)c1)Cc2sccc2
InChi:InChI=1S/C11H13BN4O5S/c17-10(4-7-2-1-3-22-7)13-9(12(20)21)6-16-5-8(11(18)19)14-15-16/h1-3,5,9,20-21H,4,6H2,(H,13,17)(H,18,19)/t9-/m0/s1
定義日:2014-07-15
最終更新日:2024-09-27
公開日:2014-11-19
識別子（ID）:1-{(2R)-2-(dihydroxyboranyl)-2-[(thiophen-2-ylacetyl)amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid
FSL
FSL
表記:(2R)-2-phenylbutanedioic acid
組成式:C10 H10 O4
SMILES:O=C(O)C(c1ccccc1)CC(=O)O
InChi:InChI=1S/C10H10O4/c11-9(12)6-8(10(13)14)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)(H,13,14)/t8-/m1/s1
定義日:2014-07-23
最終更新日:2024-09-27
公開日:2014-08-20
識別子（ID）:(2R)-2-phenylbutanedioic acid
ZGV
ZGV
表記:4-[(1E)-3-{[(2E,4E,6E,8S)-8-hydroxy-4-methyldeca-2,4,6-trienoyl]amino}-3-oxoprop-1-en-1-yl]azete-1(2H)-carboxylic acid
組成式:C18 H22 N2 O5
SMILES:OC(=O)N1CC=C1/C=C/C(=O)NC(=O)/C=CC(C)=CC=CC(O)CC
InChi:InChI=1S/C18H22N2O5/c1-3-15(21)6-4-5-13(2)7-9-16(22)19-17(23)10-8-14-11-12-20(14)18(24)25/h4-11,15,21H,3,12H2,1-2H3,(H,24,25)(H,19,22,23)/b6-4+,9-7+,10-8+,13-5+/t15-/m0/s1
定義日:2021-04-22
最終更新日:2024-09-27
公開日:2022-02-02
識別子（ID）:4-[(1E)-3-{[(2E,4E,6E,8S)-8-hydroxy-4-methyldeca-2,4,6-trienoyl]amino}-3-oxoprop-1-en-1-yl]azete-1(2H)-carboxylic acid
ZXQ
ZXQ
表記:{(3R,7S)-2-hydroxy-3-[2-(thiophen-2-yl)acetamido]-2,3,4,7-tetrahydro-1,2-oxaborepin-7-yl}acetic acid
組成式:C13 H16 B N O5 S
SMILES:O=C(NC1CC=CC(CC(=O)O)OB1O)Cc1cccs1
InChi:InChI=1S/C13H16BNO5S/c16-12(8-10-4-2-6-21-10)15-11-5-1-3-9(7-13(17)18)20-14(11)19/h1-4,6,9,11,19H,5,7-8H2,(H,15,16)(H,17,18)/t9-,11+/m1/s1
定義日:2022-01-13
最終更新日:2024-09-27
公開日:2022-05-18
識別子（ID）:{(3R,7S)-2-hydroxy-3-[2-(thiophen-2-yl)acetamido]-2,3,4,7-tetrahydro-1,2-oxaborepin-7-yl}acetic acid

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