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7N0
7N0
表記:2-[(1~{S})-2-oxidanylidenecyclopentyl]ethanoic acid
組成式:C7 H10 O3
SMILES:OC(=O)C[CH]1CCCC1=O
InChi:InChI=1S/C7H10O3/c8-6-3-1-2-5(6)4-7(9)10/h5H,1-4H2,(H,9,10)/t5-/m0/s1
定義日:2016-11-22
最終更新日:2024-09-27
公開日:2018-11-07
識別子（ID）:2-[(1~{S})-2-oxidanylidenecyclopentyl]ethanoic acid
7N4
7N4
表記:{3-chloro-4-[(2-fluorophenyl)methoxy]phenyl}borinic acid
組成式:C13 H11 B Cl F O2
SMILES:B(c1cc(c(cc1)OCc2ccccc2F)Cl)O
InChi:InChI=1S/C13H11BClFO2/c15-11-7-10(14-17)5-6-13(11)18-8-9-3-1-2-4-12(9)16/h1-7,14,17H,8H2
定義日:2016-11-21
最終更新日:2024-09-27
公開日:2017-12-06
識別子（ID）:{3-chloro-4-[(2-fluorophenyl)methoxy]phenyl}borinic acid
7N7
7N7
表記:naphthalen-2-ylboronic acid
組成式:C10 H9 B O2
SMILES:c1c2c(cc(B(O)O)c1)cccc2
InChi:InChI=1S/C10H9BO2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,12-13H
定義日:2016-11-21
最終更新日:2024-09-27
公開日:2017-12-06
識別子（ID）:naphthalen-2-ylboronic acid
7N8
7N8
表記:4-Borono-L-phenylalanine
組成式:C9 H12 B N O4
SMILES:N[CH](Cc1ccc(cc1)B(O)O)C(O)=O
InChi:InChI=1S/C9H12BNO4/c11-8(9(12)13)5-6-1-3-7(4-2-6)10(14)15/h1-4,8,14-15H,5,11H2,(H,12,13)/t8-/m0/s1
定義日:2016-11-24
最終更新日:2024-09-27
公開日:2017-10-11
識別子（ID）:(2~{S})-2-azanyl-3-[4-(dihydroxyboranyl)phenyl]propanoic acid
7ND
7ND
表記:(3-bromo-5-phenoxyphenyl)boronic acid
組成式:C12 H10 B Br O3
SMILES:Brc1cc(cc(c1)B(O)O)Oc2ccccc2
InChi:InChI=1S/C12H10BBrO3/c14-10-6-9(13(15)16)7-12(8-10)17-11-4-2-1-3-5-11/h1-8,15-16H
定義日:2016-11-21
最終更新日:2024-09-27
公開日:2017-12-06
識別子（ID）:(3-bromo-5-phenoxyphenyl)boronic acid
7NF
7NF
表記:2-ethoxycarbonyl-1,3-thiazole-4-carboxylic acid
組成式:C7 H7 N O4 S
SMILES:CCOC(=O)c1scc(n1)C(O)=O
InChi:InChI=1S/C7H7NO4S/c1-2-12-7(11)5-8-4(3-13-5)6(9)10/h3H,2H2,1H3,(H,9,10)
定義日:2016-11-27
最終更新日:2024-09-27
公開日:2017-12-20
識別子（ID）:2-ethoxycarbonyl-1,3-thiazole-4-carboxylic acid
7NJ
7NJ
表記:(3-bromo-4-methylphenyl)boronic acid
組成式:C7 H8 B Br O2
SMILES:Brc1c(ccc(c1)B(O)O)C
InChi:InChI=1S/C7H8BBrO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4,10-11H,1H3
定義日:2016-11-21
最終更新日:2024-09-27
公開日:2017-12-06
識別子（ID）:(3-bromo-4-methylphenyl)boronic acid
7NM
7NM
表記:[3-(benzyloxy)-4-methylphenyl]borinic acid
組成式:C14 H15 B O2
SMILES:Cc2c(OCc1ccccc1)cc(cc2)BO
InChi:InChI=1S/C14H15BO2/c1-11-7-8-13(15-16)9-14(11)17-10-12-5-3-2-4-6-12/h2-9,15-16H,10H2,1H3
定義日:2016-11-21
最終更新日:2024-09-27
公開日:2017-12-06
識別子（ID）:[3-(benzyloxy)-4-methylphenyl]borinic acid
7NP
7NP
表記:(2S)-7-methoxy-2-methyl-3,4-dihydronaphthalen-1(2H)-one
組成式:C12 H14 O2
SMILES:O=C2c1c(ccc(OC)c1)CCC2C
InChi:InChI=1S/C12H14O2/c1-8-3-4-9-5-6-10(14-2)7-11(9)12(8)13/h5-8H,3-4H2,1-2H3/t8-/m0/s1
別名:Bound form of 7-METHOXY-2-(PIPERIDIN-1-YLMETHYL)-3,4-DIHYDRONAPHTHALEN-1(2H)-ONE HYDROCHLORDIDE
定義日:2014-06-09
最終更新日:2024-09-27
公開日:2014-07-23
識別子（ID）:(2S)-7-methoxy-2-methyl-3,4-dihydronaphthalen-1(2H)-one
7NQ
7NQ
表記:~{N}-(4-ethoxyquinazolin-2-yl)propanamide
組成式:C13 H15 N3 O2
SMILES:CCOc1nc(NC(=O)CC)nc2ccccc12
InChi:InChI=1S/C13H15N3O2/c1-3-11(17)15-13-14-10-8-6-5-7-9(10)12(16-13)18-4-2/h5-8H,3-4H2,1-2H3,(H,14,15,16,17)
定義日:2016-11-28
最終更新日:2024-09-27
公開日:2017-11-01
識別子（ID）:~{N}-(4-ethoxyquinazolin-2-yl)propanamide
7NS
7NS
表記:[3-bromo-5-(pyrrolidin-1-yl)phenyl]borinic acid
組成式:C10 H13 B Br N O
SMILES:Brc1cc(BO)cc(c1)N2CCCC2
InChi:InChI=1S/C10H13BBrNO/c12-9-5-8(11-14)6-10(7-9)13-3-1-2-4-13/h5-7,11,14H,1-4H2
定義日:2016-11-21
最終更新日:2024-09-27
公開日:2017-12-06
識別子（ID）:[3-bromo-5-(pyrrolidin-1-yl)phenyl]borinic acid
7NT
7NT
表記:~{N}-(4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl)propanamide
組成式:C13 H16 N4 O2 S
SMILES:CCC(=O)Nc1nc2sccc2c(n1)N3CCOCC3
InChi:InChI=1S/C13H16N4O2S/c1-2-10(18)14-13-15-11(17-4-6-19-7-5-17)9-3-8-20-12(9)16-13/h3,8H,2,4-7H2,1H3,(H,14,15,16,18)
定義日:2016-11-28
最終更新日:2024-09-27
公開日:2017-11-01
識別子（ID）:~{N}-(4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl)propanamide
7NW
7NW
表記:2-methyl-1,3-thiazole-4-carboxylic acid
組成式:C5 H5 N O2 S
SMILES:Cc1scc(n1)C(O)=O
InChi:InChI=1S/C5H5NO2S/c1-3-6-4(2-9-3)5(7)8/h2H,1H3,(H,7,8)
定義日:2016-11-29
最終更新日:2024-09-27
公開日:2017-12-20
識別子（ID）:2-methyl-1,3-thiazole-4-carboxylic acid
7NX
7NX
表記:cyclohexylmethyl hydrogen carbonate
組成式:C8 H14 O3
SMILES:OC(=O)OCC1CCCCC1
InChi:InChI=1S/C8H14O3/c9-8(10)11-6-7-4-2-1-3-5-7/h7H,1-6H2,(H,9,10)
定義日:2016-11-29
最終更新日:2024-09-27
公開日:2017-12-20
識別子（ID）:cyclohexylmethyl hydrogen carbonate
7O3
7O3
表記:2-chloranyl-~{N}-[4-[(2-chloranyl-5-oxidanyl-phenyl)amino]quinazolin-7-yl]ethanamide
組成式:C16 H12 Cl2 N4 O2
SMILES:Oc1ccc(Cl)c(Nc2ncnc3cc(NC(=O)CCl)ccc23)c1
InChi:InChI=1S/C16H12Cl2N4O2/c17-7-15(24)21-9-1-3-11-13(5-9)19-8-20-16(11)22-14-6-10(23)2-4-12(14)18/h1-6,8,23H,7H2,(H,21,24)(H,19,20,22)
定義日:2016-12-01
最終更新日:2024-09-27
公開日:2017-05-17
識別子（ID）:2-chloranyl-~{N}-[4-[(2-chloranyl-5-oxidanyl-phenyl)amino]quinazolin-7-yl]ethanamide
7O5
7O5
表記:(2~{S})-2-azanyl-3-(2-sulfanylethanoylamino)propanoic acid
組成式:C5 H10 N2 O3 S
SMILES:N[CH](CNC(=O)CS)C(O)=O
InChi:InChI=1S/C5H10N2O3S/c6-3(5(9)10)1-7-4(8)2-11/h3,11H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
定義日:2016-12-01
最終更新日:2024-09-27
公開日:2020-05-27
識別子（ID）:(2~{S})-2-azanyl-3-(2-sulfanylethanoylamino)propanoic acid
7ON
7ON
表記:(3~{S},3~{a}~{S},6~{a}~{R})-2-[(2~{S})-2-cyclohexyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]ethanoyl]-~{N}-[(2~{S})-4-(cyclopentylamino)-3,4-bis(oxidanylidene)-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide
組成式:C31 H44 F3 N5 O6
SMILES:FC(F)(F)C(=O)N[CH](C1CCCCC1)C(=O)N2C[CH]3CCC[CH]3[CH]2C(=O)N[CH](C[CH]4CCNC4=O)C(=O)C(=O)NC5CCCC5
InChi:InChI=1S/C31H44F3N5O6/c32-31(33,34)30(45)38-23(17-7-2-1-3-8-17)29(44)39-16-19-9-6-12-21(19)24(39)27(42)37-22(15-18-13-14-35-26(18)41)25(40)28(43)36-20-10-4-5-11-20/h17-24H,1-16H2,(H,35,41)(H,36,43)(H,37,42)(H,38,45)/t18-,19-,21-,22-,23-,24-/m0/s1
定義日:2023-03-01
最終更新日:2024-09-27
公開日:2023-04-05
識別子（ID）:(3~{S},3~{a}~{S},6~{a}~{R})-2-[(2~{S})-2-cyclohexyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]ethanoyl]-~{N}-[(2~{S})-4-(cyclopentylamino)-3,4-bis(oxidanylidene)-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide
7OZ
7OZ
表記:(S)-2-amino-4-fluorobutanoic acid
組成式:C4 H8 F N O2
SMILES:N[CH](CCF)C(O)=O
InChi:InChI=1S/C4H8FNO2/c5-2-1-3(6)4(7)8/h3H,1-2,6H2,(H,7,8)/t3-/m0/s1
別名:(2S)-2-azanyl-4-fluoranyl-butanoic acid
定義日:2021-08-16
最終更新日:2024-09-27
公開日:2022-03-09
識別子（ID）:(2~{S})-2-azanyl-4-fluoranyl-butanoic acid
7P6
7P6
表記:[(2R,3S,4R,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]methyl dihydrogen phosphate
組成式:C6 H13 O8 P
SMILES:O[CH]1CO[CH](CO[P](O)(O)=O)[CH](O)[CH]1O
InChi:InChI=1S/C6H13O8P/c7-3-1-13-4(6(9)5(3)8)2-14-15(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4-,5-,6-/m1/s1
定義日:2023-03-02
最終更新日:2024-09-27
公開日:2024-10-02
識別子（ID）:[(2~{R},3~{S},4~{R},5~{R})-3,4,5-tris(oxidanyl)oxan-2-yl]methyl dihydrogen phosphate
7PO
7PO
表記:hexacosanoic acid
組成式:C26 H52 O2
SMILES:CCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O
InChi:InChI=1S/C26H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28/h2-25H2,1H3,(H,27,28)
定義日:2022-02-22
最終更新日:2024-09-27
公開日:2023-03-22
識別子（ID）:hexacosanoic acid
7QK
7QK
表記:N~6~-acetyl-N~6~-methyl-L-lysine
組成式:C9 H18 N2 O3
SMILES:NC(CCCCN(C)C(C)=O)C(=O)O
InChi:InChI=1S/C9H18N2O3/c1-7(12)11(2)6-4-3-5-8(10)9(13)14/h8H,3-6,10H2,1-2H3,(H,13,14)/t8-/m0/s1
定義日:2021-08-17
最終更新日:2024-09-27
公開日:2023-07-26
識別子（ID）:N~6~-acetyl-N~6~-methyl-L-lysine
7QP
7QP
表記:(1R,3S,4R)-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-4-methylcyclohexane-1-carboxylic acid
組成式:C16 H25 N2 O7 P
SMILES:Oc1c(CNC2CC(CCC2C)C(=O)O)c(cnc1C)COP(=O)(O)O
InChi:InChI=1S/C16H25N2O7P/c1-9-3-4-11(16(20)21)5-14(9)18-7-13-12(8-25-26(22,23)24)6-17-10(2)15(13)19/h6,9,11,14,18-19H,3-5,7-8H2,1-2H3,(H,20,21)(H2,22,23,24)/t9-,11-,14+/m1/s1
定義日:2021-08-17
最終更新日:2024-09-27
公開日:2021-08-25
識別子（ID）:(1R,3S,4R)-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-4-methylcyclohexane-1-carboxylic acid
7R0
7R0
表記:2-[(4E)-2-[(1S)-1-azanyl-2-(1H-imidazol-4-yl)ethyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
組成式:C17 H17 N5 O4
SMILES:N[CH](Cc1c[nH]cn1)C2=NC(=Cc3ccc(O)cc3)C(=O)N2CC(O)=O
InChi:InChI=1S/C17H17N5O4/c18-13(6-11-7-19-9-20-11)16-21-14(17(26)22(16)8-15(24)25)5-10-1-3-12(23)4-2-10/h1-5,7,9,13,23H,6,8,18H2,(H,19,20)(H,24,25)/b14-5+/t13-/m0/s1
別名:CHROMOPHORE (HIS-TYR-GLY)
定義日:2021-08-21
最終更新日:2024-09-27
公開日:2021-09-01
識別子（ID）:2-[(4~{E})-2-[(1~{S})-1-azanyl-2-(1~{H}-imidazol-4-yl)ethyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
7R6
7R6
表記:2-[(4E)-4-[(4-hydroxyphenyl)methylidene]-2-[(E)-2-(1H-imidazol-4-yl)ethenyl]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
組成式:C17 H14 N4 O4
SMILES:OC(=O)CN1C(=O)C(=Cc2ccc(O)cc2)N=C1C=Cc3c[nH]cn3
InChi:InChI=1S/C17H14N4O4/c22-13-4-1-11(2-5-13)7-14-17(25)21(9-16(23)24)15(20-14)6-3-12-8-18-10-19-12/h1-8,10,22H,9H2,(H,18,19)(H,23,24)/b6-3+,14-7+
別名:RED CHROMOPHORE (HIS, TYR, GLY)
定義日:2021-08-21
最終更新日:2024-09-27
公開日:2021-09-01
識別子（ID）:2-[(4~{E})-4-[(4-hydroxyphenyl)methylidene]-2-[(~{E})-2-(1~{H}-imidazol-4-yl)ethenyl]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
7SF
7SF
表記:4-chloranyl-3-(trifluoromethyl)benzenesulfonic acid
組成式:C7 H4 Cl F3 O3 S
SMILES:O[S](=O)(=O)c1ccc(Cl)c(c1)C(F)(F)F
InChi:InChI=1S/C7H4ClF3O3S/c8-6-2-1-4(15(12,13)14)3-5(6)7(9,10)11/h1-3H,(H,12,13,14)
定義日:2022-02-28
最終更新日:2024-09-27
公開日:2022-10-05
識別子（ID）:4-chloranyl-3-(trifluoromethyl)benzenesulfonic acid

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