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J6S
J6S
表記:(3E,5E)-6-(4-nitrophenyl)-2-oxohexa-3,5-dienoic acid
組成式:C12 H9 N O5
SMILES:C(C([C@H]=CC=Cc1ccc([N+](=O)[O-])cc1)=O)(O)=O
InChi:InChI=1S/C12H9NO5/c14-11(12(15)16)4-2-1-3-9-5-7-10(8-6-9)13(17)18/h1-8H,(H,15,16)/b3-1+,4-2+
別名:4-nitro-cinnamylidenepyruvate, bound form
定義日:2018-08-15
最終更新日:2024-09-27
公開日:2019-08-14
識別子（ID）:(3E,5E)-6-(4-nitrophenyl)-2-oxohexa-3,5-dienoic acid
J6Z
J6Z
表記:(2R)-butane-2-sulfonate
組成式:C4 H9 O3 S
SMILES:[O-]S(=O)(=O)C(C)CC
InChi:InChI=1S/C4H10O3S/c1-3-4(2)8(5,6)7/h4H,3H2,1-2H3,(H,5,6,7)/p-1/t4-/m1/s1
定義日:2009-07-23
最終更新日:2024-09-27
識別子（ID）:(2R)-butane-2-sulfonate
J7H
J7H
表記:(2~{R})-2-azanyl-2-methyl-heptanoic acid
組成式:C8 H17 N O2
SMILES:CCCCC[C](C)(N)C(O)=O
InChi:InChI=1S/C8H17NO2/c1-3-4-5-6-8(2,9)7(10)11/h3-6,9H2,1-2H3,(H,10,11)/t8-/m1/s1
定義日:2019-02-08
最終更新日:2024-09-27
公開日:2019-10-02
識別子（ID）:(2~{R})-2-azanyl-2-methyl-heptanoic acid
J8T
J8T
表記:[(3~{R})-4-azanyl-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate
組成式:C6 H14 N O6 P
SMILES:CC(C)(CO[P](O)(O)=O)[CH](O)C(N)=O
InChi:InChI=1S/C6H14NO6P/c1-6(2,4(8)5(7)9)3-13-14(10,11)12/h4,8H,3H2,1-2H3,(H2,7,9)(H2,10,11,12)/t4-/m0/s1
定義日:2019-02-11
最終更新日:2024-09-27
公開日:2020-03-18
識別子（ID）:[(3~{R})-4-azanyl-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate
J8W
J8W
表記:(2~{S})-2-azanyl-3-(3-oxidanyl-3-oxidanylidene-propanoyl)oxy-propanoic acid
組成式:C6 H9 N O6
SMILES:N[CH](COC(=O)CC(O)=O)C(O)=O
InChi:InChI=1S/C6H9NO6/c7-3(6(11)12)2-13-5(10)1-4(8)9/h3H,1-2,7H2,(H,8,9)(H,11,12)/t3-/m0/s1
定義日:2019-02-11
最終更新日:2024-09-27
公開日:2020-03-18
識別子（ID）:(2~{S})-2-azanyl-3-(3-oxidanyl-3-oxidanylidene-propanoyl)oxy-propanoic acid
J9A
J9A
表記:N-[(2S)-2-amino-2-carboxyethyl]-L-alpha-glutamine
組成式:C8 H15 N3 O5
SMILES:O=C(O)CCC(N)C(=O)NCC(C(=O)O)N
InChi:InChI=1S/C8H15N3O5/c9-4(1-2-6(12)13)7(14)11-3-5(10)8(15)16/h4-5H,1-3,9-10H2,(H,11,14)(H,12,13)(H,15,16)/t4-,5-/m0/s1
定義日:2018-08-24
最終更新日:2024-09-27
公開日:2019-08-14
識別子（ID）:N-[(2S)-2-amino-2-carboxyethyl]-L-alpha-glutamine
J9F
J9F
表記:(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
組成式:C10 H9 N O3 S
SMILES:OC(=O)[CH]1CSC(=N1)c2ccccc2O
InChi:InChI=1S/C10H9NO3S/c12-8-4-2-1-3-6(8)9-11-7(5-15-9)10(13)14/h1-4,7,12H,5H2,(H,13,14)/t7-/m1/s1
定義日:2021-04-28
最終更新日:2024-09-27
公開日:2021-12-22
識別子（ID）:(4~{S})-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
JAO
JAO
表記:(2S)-2-methylheptadecan-1-ol
組成式:C18 H38 O
SMILES:OCC(CCCCCCCCCCCCCCC)C
InChi:InChI=1S/C18H38O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(2)17-19/h18-19H,3-17H2,1-2H3/t18-/m0/s1
定義日:2013-04-10
最終更新日:2024-09-27
公開日:2013-04-24
識別子（ID）:(2S)-2-methylheptadecan-1-ol
JAZ
JAZ
表記:6-PHOSPHOCYCLOPHELLITOL
組成式:C7 H15 O9 P
SMILES:O[CH]1[CH](O)[CH](O)[CH](CO[P](O)(O)=O)[CH](O)[CH]1O
InChi:InChI=1S/C7H15O9P/c8-3-2(1-16-17(13,14)15)4(9)6(11)7(12)5(3)10/h2-12H,1H2,(H2,13,14,15)/t2-,3-,4-,5+,6+,7-/m1/s1
定義日:2015-11-24
最終更新日:2024-09-27
公開日:2016-02-17
識別子（ID）:[(2R,3S,5S,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]methyl dihydrogen phosphate
JBY
JBY
表記:(2S)-2-{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}propanoic acid
組成式:C14 H15 N3 O4
SMILES:C1(=NC(C(=O)N1C(C(=O)O)C)=C/c2ccc(O)cc2)CN
InChi:InChI=1S/C14H15N3O4/c1-8(14(20)21)17-12(7-15)16-11(13(17)19)6-9-2-4-10(18)5-3-9/h2-6,8,18H,7,15H2,1H3,(H,20,21)/b11-6-/t8-/m0/s1
別名:Gly-Ala-Try Chromophore
定義日:2018-08-29
最終更新日:2024-09-27
公開日:2019-03-13
識別子（ID）:(2S)-2-{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}propanoic acid
JFF
JFF
表記:(2R)-3-[2-(aminomethyl)-3-azanyl-1-[4-[2-(2-chloranylethanoylamino)ethylcarbamoyl]phenyl]prop-1-enyl]sulfanyl-2-(carboxyamino)propanoic acid
組成式:C19 H26 Cl N5 O6 S
SMILES:NCC(CN)=C(SCC(NC(O)=O)C(O)=O)c1ccc(cc1)C(=O)NCCNC(=O)CCl
InChi:InChI=1S/C19H26ClN5O6S/c20-7-15(26)23-5-6-24-17(27)12-3-1-11(2-4-12)16(13(8-21)9-22)32-10-14(18(28)29)25-19(30)31/h1-4,14,25H,5-10,21-22H2,(H,23,26)(H,24,27)(H,28,29)(H,30,31)
定義日:2022-08-10
最終更新日:2024-09-27
公開日:2023-11-15
識別子（ID）:(2~{R})-3-[2-(aminomethyl)-3-azanyl-1-[4-[2-(2-chloranylethanoylamino)ethylcarbamoyl]phenyl]prop-1-enyl]sulfanyl-2-(carboxyamino)propanoic acid
JFS
JFS
表記:[4-(1H-benzimidazol-1-yl)phenyl]methanol
組成式:C14 H12 N2 O
SMILES:c1(ccc(CO)cc1)n3c2ccccc2nc3
InChi:InChI=1S/C14H12N2O/c17-9-11-5-7-12(8-6-11)16-10-15-13-3-1-2-4-14(13)16/h1-8,10,17H,9H2
定義日:2018-09-10
最終更新日:2024-09-27
公開日:2018-10-10
識別子（ID）:[4-(1H-benzimidazol-1-yl)phenyl]methanol
JG2
JG2
表記:7-phenyl-1-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]heptane-1,1-diol
組成式:C20 H23 N3 O3
SMILES:n3c(c1nnc(o1)C(O)(O)CCCCCCc2ccccc2)cccc3
InChi:InChI=1S/C20H23N3O3/c24-20(25,14-8-2-1-4-10-16-11-5-3-6-12-16)19-23-22-18(26-19)17-13-7-9-15-21-17/h3,5-7,9,11-13,15,24-25H,1-2,4,8,10,14H2
別名:7-phenyl-1-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]heptan-1-one, bound form
定義日:2011-11-02
最終更新日:2024-09-27
識別子（ID）:7-phenyl-1-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]heptane-1,1-diol
JG3
JG3
表記:1-[(2S,3S)-3-amino-2-hydroxy-4-phenylbutyl]-L-proline
組成式:C15 H22 N2 O3
SMILES:O=C(O)C2N(CC(O)C(N)Cc1ccccc1)CCC2
InChi:InChI=1S/C15H22N2O3/c16-12(9-11-5-2-1-3-6-11)14(18)10-17-8-4-7-13(17)15(19)20/h1-3,5-6,12-14,18H,4,7-10,16H2,(H,19,20)/t12-,13-,14-/m0/s1
定義日:2010-09-13
最終更新日:2024-09-27
識別子（ID）:1-[(2S,3S)-3-amino-2-hydroxy-4-phenylbutyl]-L-proline
JG7
JG7
表記:(2S,4R)-4-[2-chloranyl-4-(4-ethylpiperazin-1-yl)phenyl]sulfonyl-N-[1-(iminomethyl)cyclopropyl]-1-[1-(trifluoromethyl)cyclopropyl]carbonyl-pyrrolidine-2-carboxamide
組成式:C26 H33 Cl F3 N5 O4 S
SMILES:FC(F)(F)C5(C(=O)N2C(C(=O)NC1(C=[N@H])CC1)CC(C2)S(=O)(=O)c4ccc(N3CCN(CC)CC3)cc4Cl)CC5
InChi:InChI=1S/C26H33ClF3N5O4S/c1-2-33-9-11-34(12-10-33)17-3-4-21(19(27)13-17)40(38,39)18-14-20(22(36)32-24(16-31)5-6-24)35(15-18)23(37)25(7-8-25)26(28,29)30/h3-4,13,16,18,20,31H,2,5-12,14-15H2,1H3,(H,32,36)/b31-16+/t18-,20+/m1/s1
定義日:2013-06-07
最終更新日:2024-09-27
公開日:2014-06-18
識別子（ID）:(4R)-4-{[2-chloro-4-(4-ethylpiperazin-1-yl)phenyl]sulfonyl}-N-{1-[(E)-iminomethyl]cyclopropyl}-1-{[1-(trifluoromethyl)cyclopropyl]carbonyl}-L-prolinamide
JGC
JGC
表記:Flavin mononucleotide (semi-quinone intermediate)
組成式:C17 H23 N4 O9 P
SMILES:Cc1cc2N[CH]3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C
InChi:InChI=1S/C17H23N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-14,18,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,13+,14-/m0/s1
別名:[(2R,3S,4S)-5-[(4aR)-7,8-dimethyl-2,4-bis(oxidanylidene)-4a,5-dihydrobenzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate
定義日:2022-04-27
最終更新日:2024-09-27
公開日:2023-05-24
識別子（ID）:[(2~{R},3~{S},4~{S})-5-[(4~{a}~{R})-7,8-dimethyl-2,4-bis(oxidanylidene)-4~{a},5-dihydrobenzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate
JGO
JGO
表記:meso-2,6-diaminopimelic acid NH2
組成式:C7 H15 N3 O3
SMILES:N[CH](CCC[CH](N)C(O)=O)C(N)=O
InChi:InChI=1S/C7H15N3O3/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H2,10,11)(H,12,13)/t4-,5+/m1/s1
別名:(2S,6R)-2,6,7-tris(azanyl)-7-oxidanylidene-heptanoic acid
定義日:2023-08-07
最終更新日:2024-09-27
公開日:2024-08-07
識別子（ID）:(2~{S},6~{R})-2,6,7-tris(azanyl)-7-oxidanylidene-heptanoic acid
GZB
GZB
表記:2-benzamidoethanoic acid
組成式:C9 H9 N O3
SMILES:OC(=O)CNC(=O)c1ccccc1
InChi:InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)
定義日:2017-07-22
最終更新日:2024-09-27
公開日:2017-11-29
識別子（ID）:2-benzamidoethanoic acid
GZJ
GZJ
表記:(2S)-2-(acetylamino)butanoic acid
組成式:C6 H11 N O3
SMILES:CC(NC(C(=O)O)CC)=O
InChi:InChI=1S/C6H11NO3/c1-3-5(6(9)10)7-4(2)8/h5H,3H2,1-2H3,(H,7,8)(H,9,10)/t5-/m0/s1
定義日:2018-06-06
最終更新日:2024-09-27
公開日:2019-04-17
識別子（ID）:(2S)-2-(acetylamino)butanoic acid
GZS
GZS
表記:4-[(4-phenoxyphenyl)sulfonylamino]butanoic acid
組成式:C16 H17 N O5 S
SMILES:OC(=O)CCCN[S](=O)(=O)c1ccc(Oc2ccccc2)cc1
InChi:InChI=1S/C16H17NO5S/c18-16(19)7-4-12-17-23(20,21)15-10-8-14(9-11-15)22-13-5-2-1-3-6-13/h1-3,5-6,8-11,17H,4,7,12H2,(H,18,19)
定義日:2022-05-18
最終更新日:2024-09-27
公開日:2022-06-29
識別子（ID）:4-[(4-phenoxyphenyl)sulfonylamino]butanoic acid
GZY
GZY
表記:1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethan-1-one
組成式:C13 H17 N O2
SMILES:C1C(N(C(=O)C)CC1)c2cccc(c2)OC
InChi:InChI=1S/C13H17NO2/c1-10(15)14-8-4-7-13(14)11-5-3-6-12(9-11)16-2/h3,5-6,9,13H,4,7-8H2,1-2H3/t13-/m0/s1
定義日:2018-06-08
最終更新日:2024-09-27
公開日:2019-03-27
識別子（ID）:1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethan-1-one
H00
H00
表記:4-sulfanylbutanoic acid
組成式:C4 H8 O2 S
SMILES:C(C(=O)O)CCS
InChi:InChI=1S/C4H8O2S/c5-4(6)2-1-3-7/h7H,1-3H2,(H,5,6)
定義日:2017-08-15
最終更新日:2024-09-27
公開日:2018-02-21
識別子（ID）:4-sulfanylbutanoic acid
H0A
H0A
表記:1-[(2S)-2-(4-methoxyphenyl)-2,3,6,7-tetrahydro-1H-azepin-1-yl]ethan-1-one
組成式:C15 H19 N O2
SMILES:c1(ccc(cc1)OC)C2N(CCC=CC2)C(=O)C
InChi:InChI=1S/C15H19NO2/c1-12(17)16-11-5-3-4-6-15(16)13-7-9-14(18-2)10-8-13/h3-4,7-10,15H,5-6,11H2,1-2H3/t15-/m0/s1
定義日:2018-06-08
最終更新日:2024-09-27
公開日:2019-03-27
識別子（ID）:1-[(2S)-2-(4-methoxyphenyl)-2,3,6,7-tetrahydro-1H-azepin-1-yl]ethan-1-one
H0E
H0E
表記:(10S)-3,3-dimethyl-8-{[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl}-2,3,4,10-tetrahydropyrimido[1,2-a]indol-10-ol
組成式:C24 H29 N3 O4 S
SMILES:O=S(=O)(c3ccc2N1C(=NCC(C)(C)C1)C(O)c2c3)N5C(COc4ccccc4)CCC5
InChi:InChI=1S/C24H29N3O4S/c1-24(2)15-25-23-22(28)20-13-19(10-11-21(20)26(23)16-24)32(29,30)27-12-6-7-17(27)14-31-18-8-4-3-5-9-18/h3-5,8-11,13,17,22,28H,6-7,12,14-16H2,1-2H3/t17-,22-/m0/s1
定義日:2009-04-10
最終更新日:2024-09-27
識別子（ID）:(10S)-3,3-dimethyl-8-{[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl}-2,3,4,10-tetrahydropyrimido[1,2-a]indol-10-ol
H0F
H0F
表記:2-[(2~{S})-1-[(2~{S},3~{S})-3-methyl-2-(methylamino)pentanoyl]pyrrolidin-2-yl]ethanamide
組成式:C13 H25 N3 O2
SMILES:CC[CH](C)[CH](NC)C(=O)N1CCC[CH]1CC(N)=O
InChi:InChI=1S/C13H25N3O2/c1-4-9(2)12(15-3)13(18)16-7-5-6-10(16)8-11(14)17/h9-10,12,15H,4-8H2,1-3H3,(H2,14,17)/t9-,10-,12-/m0/s1
定義日:2022-05-18
最終更新日:2024-09-27
公開日:2022-06-29
識別子（ID）:2-[(2~{S})-1-[(2~{S},3~{S})-3-methyl-2-(methylamino)pentanoyl]pyrrolidin-2-yl]ethanamide

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