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LFL
LFL
表記:(2S,3R,4R,5S,6R)-2-[4-chloranyl-3-[(4-ethoxyphenyl)methyl]phenyl]-6-methylsulfanyl-oxane-3,4,5-triol
組成式:C21 H25 Cl O5 S
SMILES:CCOc1ccc(Cc2cc(ccc2Cl)[CH]3O[CH](SC)[CH](O)[CH](O)[CH]3O)cc1
InChi:InChI=1S/C21H25ClO5S/c1-3-26-15-7-4-12(5-8-15)10-14-11-13(6-9-16(14)22)20-18(24)17(23)19(25)21(27-20)28-2/h4-9,11,17-21,23-25H,3,10H2,1-2H3/t17-,18-,19+,20+,21-/m1/s1
別名:Sotagliflozin
定義日:2022-11-18
最終更新日:2023-11-10
公開日:2023-11-15
識別子（ID）:(2~{S},3~{R},4~{R},5~{S},6~{R})-2-[4-chloranyl-3-[(4-ethoxyphenyl)methyl]phenyl]-6-methylsulfanyl-oxane-3,4,5-triol
67I
67I
表記:(2S)-2-azanyl-3-[5,7-bis(bromanyl)-1H-indol-3-yl]propanoic acid
組成式:C11 H10 Br2 N2 O2
SMILES:N[CH](Cc1c[nH]c2c(Br)cc(Br)cc12)C(O)=O
InChi:InChI=1S/C11H10Br2N2O2/c12-6-2-7-5(1-9(14)11(16)17)4-15-10(7)8(13)3-6/h2-4,9,15H,1,14H2,(H,16,17)/t9-/m0/s1
定義日:2023-01-12
最終更新日:2023-11-10
公開日:2023-11-15
識別子（ID）:(2~{S})-2-azanyl-3-[5,7-bis(bromanyl)-1~{H}-indol-3-yl]propanoic acid
QMU
QMU
表記:Bretazenil
組成式:C19 H20 Br N3 O3
SMILES:CC(C)(C)OC(=O)c1ncn2c3cccc(Br)c3C(=O)N4CCC[CH]4c12
InChi:InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-13-8-5-9-22(13)17(24)14-11(20)6-4-7-12(14)23(16)10-21-15/h4,6-7,10,13H,5,8-9H2,1-3H3/t13-/m0/s1
別名:~{tert}-butyl (7~{S})-14-bromanyl-12-oxidanylidene-2,4,11-triazatetracyclo[11.4.0.0^{2,6}.0^{7,11}]heptadeca-1(17),3,5,13,15-pentaene-5-carboxylate
定義日:2022-11-09
最終更新日:2023-11-10
公開日:2023-11-15
識別子（ID）:~{tert}-butyl (7~{S})-14-bromanyl-12-oxidanylidene-2,4,11-triazatetracyclo[11.4.0.0^{2,6}.0^{7,11}]heptadeca-1(17),3,5,13,15-pentaene-5-carboxylate
QQS
QQS
表記:2-cyclohexyl-6-methoxy-~{N}-methyl-~{N}-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
組成式:C31 H49 N5 O2
SMILES:COc1cc2c(cc1OCCCN3CCCC3)nc(nc2N(C)C4CCN(CC4)C(C)C)C5CCCCC5
InChi:InChI=1S/C31H49N5O2/c1-23(2)36-18-13-25(14-19-36)34(3)31-26-21-28(37-4)29(38-20-10-17-35-15-8-9-16-35)22-27(26)32-30(33-31)24-11-6-5-7-12-24/h21-25H,5-20H2,1-4H3
定義日:2022-11-11
最終更新日:2023-11-10
公開日:2023-11-15
識別子（ID）:2-cyclohexyl-6-methoxy-~{N}-methyl-~{N}-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
QXO
QXO
表記:2-(6-fluoranylindol-1-yl)ethanoic acid
組成式:C10 H8 F N O2
SMILES:OC(=O)Cn1ccc2ccc(F)cc12
InChi:InChI=1S/C10H8FNO2/c11-8-2-1-7-3-4-12(6-10(13)14)9(7)5-8/h1-5H,6H2,(H,13,14)
別名:2-(6-fluoro-1H-indol-1-yl)acetic acid
定義日:2022-11-16
最終更新日:2023-11-10
公開日:2023-11-15
識別子（ID）:2-(6-fluoranylindol-1-yl)ethanoic acid
E5I
E5I
表記:(1Z,3E,5S,8R,9S,10S,11R,13R,15R,16S,18Z,24S,25S)-11-ethyl-2,24-dihydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.09,13.08,15.05,16]octacosa-1(2),3,18-triene-7,20,27,28-tetraone
組成式:C29 H38 N2 O6
SMILES:CC[CH]1C[CH]2C[CH]3[CH]4CC=CC(=O)NCC[CH](O)[CH]5NC(=O)C(=C(O)C=C[CH]4CC(=O)[CH]3[CH]2[CH]1C)C5=O
InChi:InChI=1S/C29H38N2O6/c1-3-15-11-17-12-19-18-5-4-6-23(35)30-10-9-21(33)27-28(36)26(29(37)31-27)20(32)8-7-16(18)13-22(34)25(19)24(17)14(15)2/h4,6-8,14-19,21,24-25,27,32-33H,3,5,9-13H2,1-2H3,(H,30,35)(H,31,37)/b6-4-,8-7+,26-20-/t14-,15+,16+,17+,18-,19+,21-,24+,25-,27-/m0/s1
別名:10-Epi-maltophilin
定義日:2023-06-14
最終更新日:2023-11-10
公開日:2023-11-15
EIA
EIA
表記:(1Z,3E,5S,7R,8R,10R,11R,12S,15R,16S,18Z,25S)-11-ethyl-2-hydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.05,16.07,15.08,12]octacosa-1(2),3,13,18-tetraene-20,27,28-trione
組成式:C29 H38 N2 O4
SMILES:CC[CH]1[CH](C)C[CH]2[CH]3C[CH]4C=CC(=C5C(=O)N[CH](CCCNC(=O)C=CC[CH]4[CH]3C=C[CH]12)C5=O)O
InChi:InChI=1S/C29H38N2O4/c1-3-18-16(2)14-22-20(18)10-11-21-19-6-4-8-26(33)30-13-5-7-24-28(34)27(29(35)31-24)25(32)12-9-17(19)15-23(21)22/h4,8-12,16-24,32H,3,5-7,13-15H2,1-2H3,(H,30,33)(H,31,35)/b8-4-,12-9+,27-25-/t16-,17-,18-,19+,20+,21-,22+,23+,24+/m1/s1
別名:ikarugamycin
定義日:2023-06-14
最終更新日:2023-11-10
公開日:2023-11-15
EIU
EIU
表記:(1Z,3E,5E,7S,8R,10S,11R,13R,15R,16E,18E,25S)-11-ethyl-2,7-dihydroxy-10-methyl-21,26-diazatetracyclo[23.2.1.09,13.08,15]octacosa-1(2),3,5,16,18-pentaene-20,27,28-trione
組成式:C29 H40 N2 O5
SMILES:CC[CH]1C[CH]2C[CH]3CC=CCC(=O)NCCC[CH]4NC(=O)C(=C(O)C=CC=C[CH](O)[CH]3[CH]2[CH]1C)C4=O
InChi:InChI=1S/C29H40N2O5/c1-3-18-15-20-16-19-9-4-7-13-24(34)30-14-8-10-21-28(35)27(29(36)31-21)23(33)12-6-5-11-22(32)26(19)25(20)17(18)2/h4-7,11-12,17-22,25-26,32-33H,3,8-10,13-16H2,1-2H3,(H,30,34)(H,31,36)/b7-4+,11-5+,12-6+,27-23-/t17-,18+,19-,20+,21-,22-,25+,26-/m0/s1
定義日:2023-06-15
最終更新日:2023-11-10
公開日:2023-11-15
F7Z
F7Z
表記:(1Z,3E,5S,7R,8R,10R,11R,12S,13R,15S,16R,17S,19Z,26S)-11-ethyl-2-hydroxy-10-methyl-22,27-diaza-14 oxahexacyclo[24.2.1.05,17.07,16.013,15.08,12]nonacosa-1(2),3,19-triene-21,28,29-trione
組成式:C29 H38 N2 O5
SMILES:CC[CH]1[CH](C)C[CH]2[CH]3C[CH]4C=CC(=C5C(=O)N[CH](CCCNC(=O)C=CC[CH]4[CH]3[CH]6O[CH]6[CH]12)C5=O)O
InChi:InChI=1S/C29H38N2O5/c1-3-16-14(2)12-18-19-13-15-9-10-21(32)25-26(34)20(31-29(25)35)7-5-11-30-22(33)8-4-6-17(15)24(19)28-27(36-28)23(16)18/h4,8-10,14-20,23-24,27-28,32H,3,5-7,11-13H2,1-2H3,(H,30,33)(H,31,35)/b8-4-,10-9+,25-21-/t14-,15-,16-,17+,18-,19-,20+,23+,24-,27-,28+/m1/s1
別名:epoxyikarugamycin
定義日:2023-06-29
最終更新日:2023-11-10
公開日:2023-11-15
E9V
E9V
表記:N-methyl-L-histidine
組成式:C7 H11 N3 O2
SMILES:CNC(Cc1cnc[NH]1)C(=O)O
InChi:InChI=1S/C7H11N3O2/c1-8-6(7(11)12)2-5-3-9-4-10-5/h3-4,6,8H,2H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1
定義日:2017-12-14
最終更新日:2023-11-08
公開日:2018-04-18
識別子（ID）:N-methyl-L-histidine
XQZ
XQZ
表記:N-T-Butylhydroxylamine
組成式:C4 H11 N O
SMILES:CC(C)(C)NO
InChi:InChI=1S/C4H11NO/c1-4(2,3)5-6/h5-6H,1-3H3
別名:N-hydroxy-2-methylpropan-2-amine
定義日:2022-12-05
最終更新日:2023-11-06
公開日:2023-07-12
識別子（ID）:N-hydroxy-2-methylpropan-2-amine
XY9
XY9
表記:2,3,4-tri-O-sulfo-beta-D-xylopyranose
組成式:C5 H10 O14 S3
SMILES:OC1OCC(OS(=O)(=O)O)C(OS(=O)(=O)O)C1OS(=O)(=O)O
InChi:InChI=1S/C5H10O14S3/c6-5-4(19-22(13,14)15)3(18-21(10,11)12)2(1-16-5)17-20(7,8)9/h2-6H,1H2,(H,7,8,9)(H,10,11,12)(H,13,14,15)/t2-,3+,4-,5-/m1/s1
定義日:2022-08-09
最終更新日:2023-11-06
公開日:2023-07-12
識別子（ID）:2,3,4-tri-O-sulfo-beta-D-xylopyranose
UXQ
UXQ
表記:(2S)-2-azanyl-3-[4-[(2-chloranylethanoylamino)methyl]phenyl]propanoic acid
組成式:C12 H15 Cl N2 O3
SMILES:N[CH](Cc1ccc(CNC(=O)CCl)cc1)C(O)=O
InChi:InChI=1S/C12H15ClN2O3/c13-6-11(16)15-7-9-3-1-8(2-4-9)5-10(14)12(17)18/h1-4,10H,5-7,14H2,(H,15,16)(H,17,18)/t10-/m0/s1
定義日:2021-03-26
最終更新日:2023-11-03
公開日:2021-10-13
識別子（ID）:(2~{S})-2-azanyl-3-[4-[(2-chloranylethanoylamino)methyl]phenyl]propanoic acid
0FL
0FL
表記:3-amino-N-formyl-L-alanine
組成式:C4 H8 N2 O3
SMILES:O=CNC(C(=O)O)CN
InChi:InChI=1S/C4H8N2O3/c5-1-3(4(8)9)6-2-7/h2-3H,1,5H2,(H,6,7)(H,8,9)/t3-/m0/s1
定義日:2010-09-24
最終更新日:2023-11-03
識別子（ID）:3-amino-N-formyl-L-alanine
VDK
VDK
表記:[(1S,3S)-3-carboxycyclohexyl]azanium
組成式:C7 H14 N O2
SMILES:[NH3+][CH]1CCC[CH](C1)C(O)=O
InChi:InChI=1S/C7H13NO2/c8-6-3-1-2-5(4-6)7(9)10/h5-6H,1-4,8H2,(H,9,10)/p+1/t5-,6-/m0/s1
定義日:2021-05-07
最終更新日:2023-11-03
公開日:2021-08-11
識別子（ID）:[(1~{S},3~{S})-3-carboxycyclohexyl]azanium
ZNY
ZNY
表記:(4R)-4-ethoxy-L-proline
組成式:C7 H13 N O3
SMILES:CCOC1CC(NC1)C(=O)O
InChi:InChI=1S/C7H13NO3/c1-2-11-5-3-6(7(9)10)8-4-5/h5-6,8H,2-4H2,1H3,(H,9,10)/t5-,6+/m1/s1
定義日:2021-05-12
最終更新日:2023-11-03
公開日:2022-03-02
識別子（ID）:(4R)-4-ethoxy-L-proline
VDL
VDL
表記:(2R,3R)-2,3-DIAMINOBUTANOIC ACID
組成式:C4 H10 N2 O2
SMILES:O=C(O)C(N)C(N)C
InChi:InChI=1S/C4H10N2O2/c1-2(5)3(6)4(7)8/h2-3H,5-6H2,1H3,(H,7,8)/t2-,3-/m1/s1
別名:D-ERITHRO-2,3-DIAMINO-BUTYRIC ACID
定義日:2004-07-16
最終更新日:2023-11-03
識別子（ID）:(2R,3R)-2,3-diaminobutanoic acid
UXS
UXS
表記:(2S)-2-amino-4-(methylsulfanyl)butan-1-ol
組成式:C5 H13 N O S
SMILES:C(C(N)CCSC)O
InChi:InChI=1S/C5H13NOS/c1-8-3-2-5(6)4-7/h5,7H,2-4,6H2,1H3/t5-/m0/s1
定義日:2020-06-04
最終更新日:2023-11-03
公開日:2020-06-17
識別子（ID）:(2S)-2-amino-4-(methylsulfanyl)butan-1-ol
TQZ
TQZ
表記:2-AMINO-3-PENTASULFANYLPROPAN-1-OL
組成式:C3 H7 N O2 S5
SMILES:O=C(O)C(N)CSSSSS
InChi:InChI=1S/C3H7NO2S5/c4-2(3(5)6)1-8-10-11-9-7/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
定義日:2013-04-23
最終更新日:2023-11-03
公開日:2013-11-27
識別子（ID）:3-pentasulfanyl-L-alanine
UXY
UXY
表記:(4R)-4-hydroxy-L-lysine
組成式:C6 H14 N2 O3
SMILES:NC(C(O)=O)CC(CCN)O
InChi:InChI=1S/C6H14N2O3/c7-2-1-4(9)3-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/t4-,5+/m1/s1
定義日:2020-06-04
最終更新日:2023-11-03
公開日:2020-10-07
識別子（ID）:(4R)-4-hydroxy-L-lysine
VDQ
VDQ
表記:4-morpholin-4-ylaniline
組成式:C10 H14 N2 O
SMILES:Nc1ccc(cc1)N2CCOCC2
InChi:InChI=1S/C10H14N2O/c11-9-1-3-10(4-2-9)12-5-7-13-8-6-12/h1-4H,5-8,11H2
別名:4-Morpholinoaniline
定義日:2021-05-07
最終更新日:2023-11-03
公開日:2021-08-11
識別子（ID）:4-morpholin-4-ylaniline
WRP
WRP
表記:(betaR)-beta-hydroxy-1-[(3R)-3-hydroxy-2-methylbutan-2-yl]-L-tryptophan
組成式:C16 H22 N2 O4
SMILES:O=C(O)C(N)C(O)c2c1ccccc1n(c2)C(C)(C)C(O)C
InChi:InChI=1S/C16H22N2O4/c1-9(19)16(2,3)18-8-11(14(20)13(17)15(21)22)10-6-4-5-7-12(10)18/h4-9,13-14,19-20H,17H2,1-3H3,(H,21,22)/t9-,13+,14-/m1/s1
定義日:2013-06-20
最終更新日:2023-11-03
公開日:2013-09-18
識別子（ID）:(betaR)-beta-hydroxy-1-[(3R)-3-hydroxy-2-methylbutan-2-yl]-L-tryptophan
TRF
TRF
表記:N1-FORMYL-TRYPTOPHAN
組成式:C12 H12 N2 O3
SMILES:O=C(O)C(N)Cc2c1ccccc1n(c2)C=O
InChi:InChI=1S/C12H12N2O3/c13-10(12(16)17)5-8-6-14(7-15)11-4-2-1-3-9(8)11/h1-4,6-7,10H,5,13H2,(H,16,17)/t10-/m0/s1
定義日:1999-07-08
最終更新日:2023-11-03
識別子（ID）:1-formyl-L-tryptophan
Z3E
Z3E
表記:O-benzyl-L-threonine
組成式:C11 H15 N O3
SMILES:O=C(O)C(N)C(OCc1ccccc1)C
InChi:InChI=1S/C11H15NO3/c1-8(10(12)11(13)14)15-7-9-5-3-2-4-6-9/h2-6,8,10H,7,12H2,1H3,(H,13,14)/t8-,10+/m1/s1
定義日:2010-10-27
最終更新日:2023-11-03
識別子（ID）:O-benzyl-L-threonine
TRM
TRM
表記:1H-BENOXIMIDAZOLE-2-CARBOXYLIC ACID
組成式:C8 H6 N2 O2
SMILES:O=C(O)c2nc1ccccc1n2
InChi:InChI=1S/C8H6N2O2/c11-8(12)7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)(H,11,12)
定義日:2000-09-12
最終更新日:2023-11-03
識別子（ID）:1H-benzimidazole-2-carboxylic acid

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