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FUX
FUX
表記:5-HYDROXYMETHYL-FURFURAL
組成式:C6 H6 O3
SMILES:O=Cc1oc(cc1)CO
InChi:InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2
定義日:2003-09-10
最終更新日:2024-09-27
識別子（ID）:5-(hydroxymethyl)furan-2-carbaldehyde
FV5
FV5
表記:(1R,2S)-1-hydroxy-2-{[N-({[7-(methanesulfonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
組成式:C23 H40 N4 O10 S2
SMILES:O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OC1CC2(CCN(CC2)S(C)(=O)=O)C1)C(O)S(=O)(=O)O
InChi:InChI=1S/C23H40N4O10S2/c1-14(2)10-17(20(29)25-18(21(30)39(34,35)36)11-15-4-7-24-19(15)28)26-22(31)37-16-12-23(13-16)5-8-27(9-6-23)38(3,32)33/h14-18,21,30H,4-13H2,1-3H3,(H,24,28)(H,25,29)(H,26,31)(H,34,35,36)/t15-,17-,18-,21+/m0/s1
定義日:2021-12-15
最終更新日:2024-09-27
公開日:2021-12-22
識別子（ID）:(1R,2S)-1-hydroxy-2-{[N-({[7-(methanesulfonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
FVC
FVC
表記:[4-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]boronic acid
組成式:C22 H21 B N4 O3
SMILES:CN(C)C(=O)c1cncc(c1)c2cnc3[nH]cc(c4ccc(B(O)O)c(C)c4)c3c2
InChi:InChI=1S/C22H21BN4O3/c1-13-6-14(4-5-20(13)23(29)30)19-12-26-21-18(19)8-16(11-25-21)15-7-17(10-24-9-15)22(28)27(2)3/h4-12,29-30H,1-3H3,(H,25,26)
定義日:2020-06-18
最終更新日:2024-09-27
公開日:2021-06-09
識別子（ID）:[4-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]boronic acid
FVE
FVE
表記:(1S,2S)-1-hydroxy-2-{[N-({[7-(methanesulfonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
組成式:C23 H40 N4 O10 S2
SMILES:O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OC1CC2(CCN(CC2)S(C)(=O)=O)C1)C(O)S(=O)(=O)O
InChi:InChI=1S/C23H40N4O10S2/c1-14(2)10-17(20(29)25-18(21(30)39(34,35)36)11-15-4-7-24-19(15)28)26-22(31)37-16-12-23(13-16)5-8-27(9-6-23)38(3,32)33/h14-18,21,30H,4-13H2,1-3H3,(H,24,28)(H,25,29)(H,26,31)(H,34,35,36)/t15-,17-,18-,21-/m0/s1
定義日:2021-12-15
最終更新日:2024-09-27
公開日:2021-12-22
識別子（ID）:(1S,2S)-1-hydroxy-2-{[N-({[7-(methanesulfonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
FWI
FWI
表記:(1R,2S)-2-{[N-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid
組成式:C23 H38 N4 O10 S
SMILES:CC(C)(C)OC(=O)N1CC(COC(=O)NC(CC(C)C)C(=O)NC(CC2C=CNC2=O)C(O)S(=O)(=O)O)C1
InChi:InChI=1S/C23H38N4O10S/c1-13(2)8-16(26-21(31)36-12-14-10-27(11-14)22(32)37-23(3,4)5)19(29)25-17(20(30)38(33,34)35)9-15-6-7-24-18(15)28/h6-7,13-17,20,30H,8-12H2,1-5H3,(H,24,28)(H,25,29)(H,26,31)(H,33,34,35)/t15-,16-,17-,20?/m0/s1
定義日:2021-12-15
最終更新日:2024-09-27
公開日:2021-12-22
識別子（ID）:(1R,2S)-2-{[N-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid
FX9
FX9
表記:(2S)-2-azanyl-3-[3-(trifluoromethyl)phenyl]propanoic acid
組成式:C10 H10 F3 N O2
SMILES:N[CH](Cc1cccc(c1)C(F)(F)F)C(O)=O
InChi:InChI=1S/C10H10F3NO2/c11-10(12,13)7-3-1-2-6(4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m0/s1
定義日:2020-06-30
最終更新日:2024-09-27
公開日:2023-11-01
識別子（ID）:(2~{S})-2-azanyl-3-[3-(trifluoromethyl)phenyl]propanoic acid
FXN
FXN
表記:5-FLUORO-1H-INDOLE-2-CARBOXYLIC ACID-(2-MERCAPTO-ETHYL)-AMIDE
組成式:C11 H11 F N2 O S
SMILES:Fc1cc2c(cc1)nc(c2)C(=O)NCCS
InChi:InChI=1S/C11H11FN2OS/c12-8-1-2-9-7(5-8)6-10(14-9)11(15)13-3-4-16/h1-2,5-6,14,16H,3-4H2,(H,13,15)
別名:FICA
定義日:2004-02-27
最終更新日:2024-09-27
識別子（ID）:5-fluoro-N-(2-sulfanylethyl)-1H-indole-2-carboxamide
FY2
FY2
表記:2,3-difluoro-L-tyrosine
組成式:C9 H9 F2 N O3
SMILES:NC(Cc1c(c(F)c(O)cc1)F)C(=O)O
InChi:InChI=1S/C9H9F2NO3/c10-7-4(3-5(12)9(14)15)1-2-6(13)8(7)11/h1-2,5,13H,3,12H2,(H,14,15)/t5-/m0/s1
定義日:2015-07-13
最終更新日:2024-09-27
公開日:2016-06-22
識別子（ID）:2,3-difluoro-L-tyrosine
FY3
FY3
表記:2,3,5-trifluoro-L-tyrosine
組成式:C9 H8 F3 N O3
SMILES:NC(C(=O)O)Cc1cc(F)c(c(c1F)F)O
InChi:InChI=1S/C9H8F3NO3/c10-4-1-3(2-5(13)9(15)16)6(11)7(12)8(4)14/h1,5,14H,2,13H2,(H,15,16)/t5-/m0/s1
定義日:2015-07-13
最終更新日:2024-09-27
公開日:2016-07-13
識別子（ID）:2,3,5-trifluoro-L-tyrosine
FYU
FYU
表記:2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde
組成式:C5 H4 N2 O3
SMILES:N1C(NC(C(=C1)C=O)=O)=O
InChi:InChI=1S/C5H4N2O3/c8-2-3-1-6-5(10)7-4(3)9/h1-2H,(H2,6,7,9,10)
別名:5-formyluracil
定義日:2015-06-22
最終更新日:2024-09-27
公開日:2015-10-21
識別子（ID）:2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde
FZI
FZI
表記:(1S,2S)-2-{[N-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid
組成式:C23 H38 N4 O10 S
SMILES:CC(C)(C)OC(=O)N1CC(COC(=O)NC(CC(C)C)C(=O)NC(CC2C=CNC2=O)C(O)S(=O)(=O)O)C1
InChi:InChI=1S/C23H38N4O10S/c1-13(2)8-16(26-21(31)36-12-14-10-27(11-14)22(32)37-23(3,4)5)19(29)25-17(20(30)38(33,34)35)9-15-6-7-24-18(15)28/h6-7,13-17,20,30H,8-12H2,1-5H3,(H,24,28)(H,25,29)(H,26,31)(H,33,34,35)/t15-,16-,17-,20?/m0/s1
定義日:2021-12-15
最終更新日:2024-09-27
公開日:2021-12-22
識別子（ID）:(1S,2S)-2-{[N-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid
FZP
FZP
表記:(4-fluorophenyl)methyl {2-[(1-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl}[3-(propanoylamino)phenyl]carbamate
組成式:C25 H24 F N7 O3
SMILES:c1(ccn(n1)C)Nc4nc(N(C(=O)OCc2ccc(F)cc2)c3cccc(c3)NC(CC)=O)ccn4
InChi:InChI=1S/C25H24FN7O3/c1-3-23(34)28-19-5-4-6-20(15-19)33(25(35)36-16-17-7-9-18(26)10-8-17)22-11-13-27-24(30-22)29-21-12-14-32(2)31-21/h4-15H,3,16H2,1-2H3,(H,28,34)(H,27,29,30,31)
定義日:2018-05-01
最終更新日:2024-09-27
公開日:2018-07-18
識別子（ID）:(4-fluorophenyl)methyl {2-[(1-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl}[3-(propanoylamino)phenyl]carbamate
G03
G03
表記:methyl (2S)-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-4-methylsulfanyl-butanoate
組成式:C14 H23 N2 O7 P S
SMILES:COC(=O)[CH](CCSC)NCc1c(O)c(C)ncc1CO[P](O)(O)=O
InChi:InChI=1S/C14H23N2O7PS/c1-9-13(17)11(10(6-15-9)8-23-24(19,20)21)7-16-12(4-5-25-3)14(18)22-2/h6,12,16-17H,4-5,7-8H2,1-3H3,(H2,19,20,21)/t12-/m0/s1
定義日:2020-07-14
最終更新日:2024-09-27
公開日:2021-01-27
識別子（ID）:methyl (2~{S})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-4-methylsulfanyl-butanoate
G0F
G0F
表記:[6-methyl-4-[(3-methylsulfanylpropylamino)methyl]-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate
組成式:C12 H21 N2 O5 P S
SMILES:CSCCCNCc1c(O)c(C)ncc1CO[P](O)(O)=O
InChi:InChI=1S/C12H21N2O5PS/c1-9-12(15)11(7-13-4-3-5-21-2)10(6-14-9)8-19-20(16,17)18/h6,13,15H,3-5,7-8H2,1-2H3,(H2,16,17,18)
定義日:2020-07-14
最終更新日:2024-09-27
公開日:2021-01-27
識別子（ID）:[6-methyl-4-[(3-methylsulfanylpropylamino)methyl]-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate
G0R
G0R
表記:N-(4-carbamimidamidobutyl)ethanamide
組成式:C7 H16 N4 O
SMILES:CC(=O)NCCCCNC(N)=N
InChi:InChI=1S/C7H16N4O/c1-6(12)10-4-2-3-5-11-7(8)9/h2-5H2,1H3,(H,10,12)(H4,8,9,11)
定義日:2020-07-14
最終更新日:2024-09-27
公開日:2021-07-21
識別子（ID）:~{N}-(4-carbamimidamidobutyl)ethanamide
G16
G16
表記:1,6-di-O-phosphono-alpha-D-glucopyranose
組成式:C6 H13 O12 P2
SMILES:O=P([O-])(OC1OC(C(O)C(O)C1O)COP(=O)(O)O)O
InChi:InChI=1S/C6H14O12P2/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)/p-1/t2-,3-,4+,5-,6-/m1/s1
別名:ALPHA-D-GLUCOSE 1,6-BISPHOSPHATE
定義日:1999-08-11
最終更新日:2024-09-27
識別子（ID）:1-O-(hydroxyphosphinato)-6-O-phosphono-alpha-D-glucopyranose
G1H
G1H
表記:2-[(2~{S},6~{R})-2,6-dimethylpiperidin-1-yl]-8-nitro-6-(trifluoromethyl)-1,3-benzoxazin-4-one
組成式:C16 H16 F3 N3 O4
SMILES:C[CH]1CCC[CH](C)N1C2=NC(=O)c3cc(cc(c3O2)[N+]([O-])=O)C(F)(F)F
InChi:InChI=1S/C16H16F3N3O4/c1-8-4-3-5-9(2)21(8)15-20-14(23)11-6-10(16(17,18)19)7-12(22(24)25)13(11)26-15/h6-9H,3-5H2,1-2H3/t8-,9+
定義日:2018-08-21
最終更新日:2024-09-27
公開日:2018-08-29
識別子（ID）:2-[(2~{S},6~{R})-2,6-dimethylpiperidin-1-yl]-8-nitro-6-(trifluoromethyl)-1,3-benzoxazin-4-one
G1T
G1T
表記:8-(oxidanylamino)-2-piperidin-1-yl-6-(trifluoromethyl)-1,3-benzothiazin-4-one
組成式:C14 H14 F3 N3 O2 S
SMILES:ONc1cc(cc2C(=O)N=C(Sc12)N3CCCCC3)C(F)(F)F
InChi:InChI=1S/C14H14F3N3O2S/c15-14(16,17)8-6-9-11(10(7-8)19-22)23-13(18-12(9)21)20-4-2-1-3-5-20/h6-7,19,22H,1-5H2
定義日:2018-08-22
最終更新日:2024-09-27
公開日:2018-09-19
識別子（ID）:8-(oxidanylamino)-2-piperidin-1-yl-6-(trifluoromethyl)-1,3-benzothiazin-4-one
G1X
G1X
表記:(2S)-2-azanyl-3-[3,4-bis(oxidanylidene)cyclohexa-1,5-dien-1-yl]propanoic acid
組成式:C9 H9 N O4
SMILES:N[CH](CC1=CC(=O)C(=O)C=C1)C(O)=O
InChi:InChI=1S/C9H9NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6H,3,10H2,(H,13,14)/t6-/m0/s1
別名:L-dopaquinone
定義日:2020-07-15
最終更新日:2024-09-27
公開日:2021-06-16
識別子（ID）:(2~{S})-2-azanyl-3-[3,4-bis(oxidanylidene)cyclohexa-1,5-dien-1-yl]propanoic acid
G2F
G2F
表記:2-deoxy-2-fluoro-alpha-D-glucopyranose
組成式:C6 H11 F O5
SMILES:FC1C(O)C(O)C(OC1O)CO
InChi:InChI=1S/C6H11FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1H2/t2-,3-,4-,5-,6+/m1/s1
別名:2-deoxy-2-fluoro-alpha-D-glucose
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:2-deoxy-2-fluoro-alpha-D-glucopyranose
G2Z
G2Z
表記:[(2~{S})-2-azanylpropyl]carbamic acid
組成式:C4 H10 N2 O2
SMILES:C[CH](N)CNC(O)=O
InChi:InChI=1S/C4H10N2O2/c1-3(5)2-6-4(7)8/h3,6H,2,5H2,1H3,(H,7,8)/t3-/m0/s1
定義日:2018-08-23
最終更新日:2024-09-27
公開日:2021-02-17
識別子（ID）:[(2~{S})-2-azanylpropyl]carbamic acid
G3H
G3H
表記:GLYCERALDEHYDE-3-PHOSPHATE
組成式:C3 H7 O6 P
SMILES:O=P(OCC(O)C=O)(O)O
InChi:InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h1,3,5H,2H2,(H2,6,7,8)/t3-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:(2R)-2-hydroxy-3-oxopropyl dihydrogen phosphate
G47
G47
表記:N2-ETHANETHIOL-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE
組成式:C12 H18 N5 O7 P S
SMILES:O=C1c2ncn(c2N=C(NCCS)N1)C3OC(C(O)C3)COP(=O)(O)O
InChi:InChI=1S/C12H18N5O7PS/c18-6-3-8(24-7(6)4-23-25(20,21)22)17-5-14-9-10(17)15-12(13-1-2-26)16-11(9)19/h5-8,18,26H,1-4H2,(H2,20,21,22)(H2,13,15,16,19)/t6-,7+,8+/m0/s1
定義日:1999-10-14
最終更新日:2024-09-27
識別子（ID）:2'-deoxy-N-(2-sulfanylethyl)guanosine 5'-(dihydrogen phosphate)
G4B
G4B
表記:THALASSOSPIRAMIDE C
組成式:C43 H61 N5 O9
SMILES:CCCCCCC=CCC(=O)N[CH](Cc1ccc(O)cc1)C(=O)N[CH](C(C)C)C(=O)N[CH]2CCC(=O)N[CH](C(C)C)C(=O)N[CH](Cc3ccc(O)cc3)C(=O)OC2
InChi:InChI=1S/C43H61N5O9/c1-6-7-8-9-10-11-12-13-36(51)45-34(24-29-14-19-32(49)20-15-29)40(53)48-39(28(4)5)41(54)44-31-18-23-37(52)47-38(27(2)3)42(55)46-35(43(56)57-26-31)25-30-16-21-33(50)22-17-30/h11-12,14-17,19-22,27-28,31,34-35,38-39,49-50H,6-10,13,18,23-26H2,1-5H3,(H,44,54)(H,45,51)(H,46,55)(H,47,52)(H,48,53)/b12-11-/t31-,34+,35+,38+,39+/m1/s1
定義日:2018-08-24
最終更新日:2024-09-27
公開日:2019-06-26
識別子（ID）:(~{Z})-~{N}-[(2~{S})-3-(4-hydroxyphenyl)-1-[[(2~{S})-1-[[(3~{S},6~{S},11~{R})-3-[(4-hydroxyphenyl)methyl]-2,5,8-tris(oxidanylidene)-6-propan-2-yl-1-oxa-4,7-diazacyclododec-11-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]dec-3-enamide
G4H
G4H
表記:~{N}-[1-methyl-2-oxidanylidene-3-[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]benzimidazol-5-yl]propanamide
組成式:C37 H36 N6 O3
SMILES:CCC(=O)Nc1ccc2N(C)C(=O)N(C3CCN(CC3)Cc4ccc(cc4)c5nc6C=CNC(=O)c6cc5c7ccccc7)c2c1
InChi:InChI=1S/C37H36N6O3/c1-3-34(44)39-27-13-14-32-33(21-27)43(37(46)41(32)2)28-16-19-42(20-17-28)23-24-9-11-26(12-10-24)35-29(25-7-5-4-6-8-25)22-30-31(40-35)15-18-38-36(30)45/h4-15,18,21-22,28H,3,16-17,19-20,23H2,1-2H3,(H,38,45)(H,39,44)
定義日:2018-08-28
最終更新日:2024-09-27
公開日:2019-02-20
識別子（ID）:~{N}-[1-methyl-2-oxidanylidene-3-[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]benzimidazol-5-yl]propanamide

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