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LEI
LEI
表記:3-sulfanyl-D-valine
組成式:C5 H11 N O2 S
SMILES:O=C(O)C(N)C(S)(C)C
InChi:InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m0/s1
別名:D-PENICILLAMINE
定義日:2009-05-16
最終更新日:2024-09-27
識別子（ID）:3-sulfanyl-D-valine
TYZ
TYZ
表記:PARA ACETAMIDO BENZOIC ACID
組成式:C9 H9 N O3
SMILES:O=C(Nc1ccc(cc1)C(=O)O)C
InChi:InChI=1S/C9H9NO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)
定義日:2004-08-07
最終更新日:2024-09-27
識別子（ID）:4-(acetylamino)benzoic acid
SQ3
SQ3
表記:(1R,2S,5S)-3-[(2,4-dichlorophenoxy)acetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
組成式:C23 H29 Cl2 N3 O5
SMILES:CC1(C)C2C(C(=O)NC(CC3CCNC3=O)CO)N(CC21)C(=O)COc1ccc(Cl)cc1Cl
InChi:InChI=1S/C23H29Cl2N3O5/c1-23(2)15-9-28(18(30)11-33-17-4-3-13(24)8-16(17)25)20(19(15)23)22(32)27-14(10-29)7-12-5-6-26-21(12)31/h3-4,8,12,14-15,19-20,29H,5-7,9-11H2,1-2H3,(H,26,31)(H,27,32)/t12-,14-,15-,19-,20-/m0/s1
定義日:2023-08-28
最終更新日:2024-09-27
公開日:2024-08-28
識別子（ID）:(1R,2S,5S)-3-[(2,4-dichlorophenoxy)acetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
PHK
PHK
表記:(2R,3S)-3-AMINO-1-CHLORO-4-PHENYL-BUTAN-2-OL
組成式:C10 H14 Cl N O
SMILES:ClCC(O)C(N)Cc1ccccc1
InChi:InChI=1S/C10H14ClNO/c11-7-10(13)9(12)6-8-4-2-1-3-5-8/h1-5,9-10,13H,6-7,12H2/t9-,10-/m0/s1
定義日:2002-10-01
最終更新日:2024-09-27
識別子（ID）:(2R,3S)-3-amino-1-chloro-4-phenylbutan-2-ol
TZ0
TZ0
表記:1-[(3S)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]prop-2-en-1-one
組成式:C22 H22 N6 O3
SMILES:COc1cc(OC)cc(c1)C#Cc3c2c(ncnc2N)n(n3)C4CN(CC4)C([C@H]=C)=O
InChi:InChI=1S/C22H22N6O3/c1-4-19(29)27-8-7-15(12-27)28-22-20(21(23)24-13-25-22)18(26-28)6-5-14-9-16(30-2)11-17(10-14)31-3/h4,9-11,13,15H,1,7-8,12H2,2-3H3,(H2,23,24,25)/t15-/m0/s1
定義日:2018-11-06
最終更新日:2024-09-27
公開日:2019-01-16
識別子（ID）:1-[(3S)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]prop-2-en-1-one
TJB
TJB
表記:2-chloranyl-4-(2-phenylimidazol-1-yl)benzaldehyde
組成式:C16 H11 Cl N2 O
SMILES:Clc1cc(ccc1C=O)n2ccnc2c3ccccc3
InChi:InChI=1S/C16H11ClN2O/c17-15-10-14(7-6-13(15)11-20)19-9-8-18-16(19)12-4-2-1-3-5-12/h1-11H
別名:LvD1017
定義日:2020-12-22
最終更新日:2024-09-27
公開日:2021-06-16
識別子（ID）:2-chloranyl-4-(2-phenylimidazol-1-yl)benzaldehyde
QC7
QC7
表記:(5R,6R)-6-[(1S,2R,4aS,4bS,7R,8aS,10R,10aS)-7,10-dihydroxy-1,2,4b-trimethyltetradecahydrophenanthren-2-yl]-5-methylheptan-2-one
組成式:C25 H44 O3
SMILES:CC(C(C)CCC(C)=O)C3(C(C)C2C(CC1CC(CCC1(C)C2CC3)O)O)C
InChi:InChI=1S/C25H44O3/c1-15(7-8-16(2)26)17(3)24(5)12-10-21-23(18(24)4)22(28)14-19-13-20(27)9-11-25(19,21)6/h15,17-23,27-28H,7-14H2,1-6H3/t15-,17-,18+,19+,20-,21+,22-,23+,24-,25+/m1/s1
定義日:2019-10-11
最終更新日:2024-09-27
公開日:2020-02-19
識別子（ID）:(5R,6R)-6-[(1S,2R,4aS,4bS,7R,8aS,10R,10aS)-7,10-dihydroxy-1,2,4b-trimethyltetradecahydrophenanthren-2-yl]-5-methylheptan-2-one
RIB
RIB
表記:alpha-D-ribofuranose
組成式:C5 H10 O5
SMILES:OC1C(OC(O)C1O)CO
InChi:InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4-,5+/m1/s1
別名:alpha-D-ribose
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:alpha-D-ribofuranose
PHL
PHL
表記:L-PHENYLALANINOL
組成式:C9 H13 N O
SMILES:OCC(N)Cc1ccccc1
InChi:InChI=1S/C9H13NO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2/t9-/m0/s1
別名:bound form of Phenylalaninal
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:(2S)-2-amino-3-phenylpropan-1-ol
QC9
QC9
表記:(2~{R},3~{S},4~{S})-2,3,4,6-tetrakis(oxidanyl)hexane-1-sulfonic acid
組成式:C6 H14 O7 S
SMILES:OCC[CH](O)[CH](O)[CH](O)C[S](O)(=O)=O
InChi:InChI=1S/C6H14O7S/c7-2-1-4(8)6(10)5(9)3-14(11,12)13/h4-10H,1-3H2,(H,11,12,13)/t4-,5-,6-/m0/s1
定義日:2022-10-25
最終更新日:2024-09-27
公開日:2023-01-18
識別子（ID）:(2~{R},3~{S},4~{S})-2,3,4,6-tetrakis(oxidanyl)hexane-1-sulfonic acid
UDP
UDP
表記:URIDINE-5'-DIPHOSPHATE
組成式:C9 H14 N2 O12 P2
SMILES:O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O
InChi:InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:uridine 5'-(trihydrogen diphosphate)
SQ6
SQ6
表記:2,2'-azanediyldiacetic acid
組成式:C4 H7 N O4
SMILES:O=C(O)CNCC(=O)O
InChi:InChI=1S/C4H7NO4/c6-3(7)1-5-2-4(8)9/h5H,1-2H2,(H,6,7)(H,8,9)
定義日:2022-07-07
最終更新日:2024-09-27
公開日:2022-12-07
識別子（ID）:2,2'-azanediyldiacetic acid
QCA
QCA
表記:{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
組成式:C15 H16 N4 O7
SMILES:NC(C(O)C)C1=N/C(C(N1CC(O)=O)=O)=Cc2cc(N(=O)=O)c(cc2)O
InChi:InChI=1S/C15H16N4O7/c1-7(20)13(16)14-17-9(15(24)18(14)6-12(22)23)4-8-2-3-11(21)10(5-8)19(25)26/h2-5,7,13,20-21H,6,16H2,1H3,(H,22,23)/b9-4-/t7-,13+/m1/s1
別名:PEPTIDE DERIVED CHROMOPHORE
定義日:2019-10-11
最終更新日:2024-09-27
公開日:2020-10-14
識別子（ID）:{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
LEN
LEN
表記:3-METHYLBUTAN-1-AMINE
組成式:C5 H13 N
SMILES:NCCC(C)C
InChi:InChI=1S/C5H13N/c1-5(2)3-4-6/h5H,3-4,6H2,1-2H3
定義日:2003-05-27
最終更新日:2024-09-27
識別子（ID）:3-methylbutan-1-amine
QQJ
QQJ
表記:N-[3-({4-[4-(4-fluorophenyl)-2-(methylsulfanyl)-1H-imidazol-5-yl]pyridin-2-yl}amino)-4-methoxyphenyl]propanamide
組成式:C25 H24 F N5 O2 S
SMILES:c1(ccc(cc1)c4c(c3cc(Nc2c(ccc(c2)NC(=O)CC)OC)ncc3)nc(n4)SC)F
InChi:InChI=1S/C25H24FN5O2S/c1-4-22(32)28-18-9-10-20(33-2)19(14-18)29-21-13-16(11-12-27-21)24-23(30-25(31-24)34-3)15-5-7-17(26)8-6-15/h5-14H,4H2,1-3H3,(H,27,29)(H,28,32)(H,30,31)
定義日:2019-12-09
最終更新日:2024-09-27
公開日:2020-04-22
識別子（ID）:N-[3-({4-[4-(4-fluorophenyl)-2-(methylsulfanyl)-1H-imidazol-5-yl]pyridin-2-yl}amino)-4-methoxyphenyl]propanamide
N10
N10
表記:O-[(HEXYLAMINO)CARBONYL]-L-SERINE
組成式:C10 H20 N2 O4
SMILES:O=C(O)C(N)COC(=O)NCCCCCC
InChi:InChI=1S/C10H20N2O4/c1-2-3-4-5-6-12-10(15)16-7-8(11)9(13)14/h8H,2-7,11H2,1H3,(H,12,15)(H,13,14)/t8-/m0/s1
定義日:2007-05-31
最終更新日:2024-09-27
識別子（ID）:O-(hexylcarbamoyl)-L-serine
PHQ
PHQ
表記:benzyl chlorocarbonate
組成式:C8 H7 Cl O2
SMILES:ClC(=O)OCc1ccccc1
InChi:InChI=1S/C8H7ClO2/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2
定義日:1999-07-15
最終更新日:2024-09-27
識別子（ID）:benzyl carbonochloridate
QCD
QCD
表記:{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl }acetic acid
組成式:C16 H19 N3 O6
SMILES:NC(C(O)C)C1=N/C(C(N1CC(O)=O)=O)=Cc2cc(OC)c(cc2)O
InChi:InChI=1S/C16H19N3O6/c1-8(20)14(17)15-18-10(16(24)19(15)7-13(22)23)5-9-3-4-11(21)12(6-9)25-2/h3-6,8,14,20-21H,7,17H2,1-2H3,(H,22,23)/b10-5-/t8-,14+/m1/s1
別名:PEPTIDE DERIVED CHROMOPHORE
定義日:2019-10-11
最終更新日:2024-09-27
公開日:2020-10-14
識別子（ID）:{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
QQL
QQL
表記:4-methoxy-~{N}-[(2~{S})-4-methyl-1-[[(2~{S})-4-nitro-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]-1~{H}-indole-2-carboxamide
組成式:C24 H33 N5 O6
SMILES:COc1cccc2[nH]c(cc12)C(=O)N[CH](CC(C)C)C(=O)N[CH](CC[N+]([O-])=O)C[CH]3CCNC3=O
InChi:InChI=1S/C24H33N5O6/c1-14(2)11-19(28-24(32)20-13-17-18(27-20)5-4-6-21(17)35-3)23(31)26-16(8-10-29(33)34)12-15-7-9-25-22(15)30/h4-6,13-16,19,27H,7-12H2,1-3H3,(H,25,30)(H,26,31)(H,28,32)/t15-,16+,19-/m0/s1
定義日:2022-11-11
最終更新日:2024-09-27
公開日:2023-11-08
識別子（ID）:4-methoxy-~{N}-[(2~{S})-4-methyl-1-[[(2~{S})-4-nitro-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]-1~{H}-indole-2-carboxamide
QQM
QQM
表記:N-[3-({4-[4-(4-fluorophenyl)-2-(3-hydroxypropyl)-1H-imidazol-5-yl]pyridin-2-yl}amino)-4-methoxyphenyl]propanamide
組成式:C27 H28 F N5 O3
SMILES:c4c(ccc(c1nc(CCCO)nc1c2cc(ncc2)Nc3c(ccc(NC(CC)=O)c3)OC)c4)F
InChi:InChI=1S/C27H28FN5O3/c1-3-25(35)30-20-10-11-22(36-2)21(16-20)31-24-15-18(12-13-29-24)27-26(17-6-8-19(28)9-7-17)32-23(33-27)5-4-14-34/h6-13,15-16,34H,3-5,14H2,1-2H3,(H,29,31)(H,30,35)(H,32,33)
定義日:2019-12-09
最終更新日:2024-09-27
公開日:2020-04-22
識別子（ID）:N-[3-({4-[4-(4-fluorophenyl)-2-(3-hydroxypropyl)-1H-imidazol-5-yl]pyridin-2-yl}amino)-4-methoxyphenyl]propanamide
TJI
TJI
表記:ethyl 3-bromanyl-2-methyl-propanoate
組成式:C6 H11 Br O2
SMILES:CCOC(=O)[CH](C)CBr
InChi:InChI=1S/C6H11BrO2/c1-3-9-6(8)5(2)4-7/h5H,3-4H2,1-2H3/t5-/m0/s1
別名:Ethyl 2-(bromomethyl)acrylate (precursor)
定義日:2023-01-06
最終更新日:2024-09-27
公開日:2023-11-01
識別子（ID）:ethyl 3-bromanyl-2-methyl-propanoate
RIL
RIL
表記:[(4R)-2,2-DIMETHYL-1,3-DIOXOLAN-4-YL]METHYL HYDROGEN HEX-5-ENYLPHOSPHONATE
組成式:C12 H23 O5 P
SMILES:O=P(OCC1OC(OC1)(C)C)(O)CCCCC=C
InChi:InChI=1S/C12H23O5P/c1-4-5-6-7-8-18(13,14)16-10-11-9-15-12(2,3)17-11/h4,11H,1,5-10H2,2-3H3,(H,13,14)/t11-/m0/s1
別名:O-[(R)-1,2,-O-ISOPROPYLIDENE-SN-GLYCEROL]6-HEXENYL PHOSPHONATE
定義日:2003-10-16
最終更新日:2024-09-27
識別子（ID）:[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl hydrogen (S)-hex-5-en-1-ylphosphonate
PHT
PHT
表記:PHTHALIC ACID
組成式:C8 H6 O4
SMILES:O=C(O)c1ccccc1C(=O)O
InChi:InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:benzene-1,2-dicarboxylic acid
M8M
M8M
表記:5'-{[2-(aminooxy)ethyl](methyl)amino}-5'-deoxy-8-methyladenosine
組成式:C14 H23 N7 O4
SMILES:n2c1c(ncnc1n(c2C)C3OC(C(O)C3O)CN(CCON)C)N
InChi:InChI=1S/C14H23N7O4/c1-7-19-9-12(15)17-6-18-13(9)21(7)14-11(23)10(22)8(25-14)5-20(2)3-4-24-16/h6,8,10-11,14,22-23H,3-5,16H2,1-2H3,(H2,15,17,18)/t8-,10-,11-,14-/m1/s1
定義日:2008-07-31
最終更新日:2024-09-27
識別子（ID）:5'-{[2-(aminooxy)ethyl](methyl)amino}-5'-deoxy-8-methyladenosine
TJK
TJK
表記:2-bromanyl-4-[2-(5-bromanyl-2-fluoranyl-phenyl)imidazol-1-yl]benzaldehyde
組成式:C16 H9 Br2 F N2 O
SMILES:Fc1ccc(Br)cc1c2nccn2c3ccc(C=O)c(Br)c3
InChi:InChI=1S/C16H9Br2FN2O/c17-11-2-4-15(19)13(7-11)16-20-5-6-21(16)12-3-1-10(9-22)14(18)8-12/h1-9H
別名:PC2068B
定義日:2020-12-22
最終更新日:2024-09-27
公開日:2021-06-16
識別子（ID）:2-bromanyl-4-[2-(5-bromanyl-2-fluoranyl-phenyl)imidazol-1-yl]benzaldehyde

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