 | | 5KO | | Name: | (3R)-3-hydroxybutanal | | Formula: | C4 H8 O2 | | SMILES: | O=CCC(C)O | | InChi: | InChI=1S/C4H8O2/c1-4(6)2-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1 | | Synonyms: | Faropenem adduct | | Definition date: | 2015-10-13 | | Last modified: | 2024-09-27 | | Release date: | 2016-10-26 | | Identifier: | (3R)-3-hydroxybutanal |
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 | | 5KW | | Name: | 2-chloro-N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}acetamide | | Formula: | C23 H24 Cl2 N6 O2 | | SMILES: | CN1CCN(CC1)c2ccc(cc2)Nc4ncc(Cl)c(Oc3ccccc3NC(CCl)=O)n4 | | InChi: | InChI=1S/C23H24Cl2N6O2/c1-30-10-12-31(13-11-30)17-8-6-16(7-9-17)27-23-26-15-18(25)22(29-23)33-20-5-3-2-4-19(20)28-21(32)14-24/h2-9,15H,10-14H2,1H3,(H,28,32)(H,26,27,29) | | Definition date: | 2015-10-15 | | Last modified: | 2024-09-27 | | Release date: | 2016-09-21 | | Identifier: | 2-chloro-N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}acetamide |
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 | | G03 | | Name: | methyl (2S)-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-4-methylsulfanyl-butanoate | | Formula: | 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 | | Definition date: | 2020-07-14 | | Last modified: | 2024-09-27 | | Release date: | 2021-01-27 | | Identifier: | methyl (2~{S})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-4-methylsulfanyl-butanoate |
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 | | 5L7 | | Name: | 2-methyl-3-({2-[1-(propan-2-yl)-1H-pyrazol-5-yl]pyridin-3-yl}methoxy)phenol | | Formula: | C19 H21 N3 O2 | | SMILES: | c1(cccc(c1C)O)OCc2cccnc2c3n(ncc3)C(C)C | | InChi: | InChI=1S/C19H21N3O2/c1-13(2)22-16(9-11-21-22)19-15(6-5-10-20-19)12-24-18-8-4-7-17(23)14(18)3/h4-11,13,23H,12H2,1-3H3 | | Definition date: | 2015-10-16 | | Last modified: | 2024-09-27 | | Release date: | 2016-07-20 | | Identifier: | 2-methyl-3-({2-[1-(propan-2-yl)-1H-pyrazol-5-yl]pyridin-3-yl}methoxy)phenol |
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 | | G0F | | Name: | [6-methyl-4-[(3-methylsulfanylpropylamino)methyl]-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate | | Formula: | 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) | | Definition date: | 2020-07-14 | | Last modified: | 2024-09-27 | | Release date: | 2021-01-27 | | Identifier: | [6-methyl-4-[(3-methylsulfanylpropylamino)methyl]-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate |
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 | | 5LG | | Name: | (phenylmethyl) ~{N}-[(8~{S},11~{S},14~{S})-8-(hydroxymethyl)-11-(2-methylpropyl)-5,10,13-tris(oxidanylidene)-1,4,9,12,17,18-hexazabicyclo[14.2.1]nonadeca-16(19),17-dien-14-yl]carbamate | | Formula: | C26 H37 N7 O6 | | SMILES: | CC(C)C[CH]1NC(=O)[CH](Cc2cn(CCNC(=O)CC[CH](CO)NC1=O)nn2)NC(=O)OCc3ccccc3 | | InChi: | InChI=1S/C26H37N7O6/c1-17(2)12-21-24(36)28-19(15-34)8-9-23(35)27-10-11-33-14-20(31-32-33)13-22(25(37)29-21)30-26(38)39-16-18-6-4-3-5-7-18/h3-7,14,17,19,21-22,34H,8-13,15-16H2,1-2H3,(H,27,35)(H,28,36)(H,29,37)(H,30,38)/t19-,21-,22-/m0/s1 | | Definition date: | 2015-10-20 | | Last modified: | 2024-09-27 | | Release date: | 2016-05-04 | | Identifier: | (phenylmethyl) ~{N}-[(8~{S},11~{S},14~{S})-8-(hydroxymethyl)-11-(2-methylpropyl)-5,10,13-tris(oxidanylidene)-1,4,9,12,17,18-hexazabicyclo[14.2.1]nonadeca-16(19),17-dien-14-yl]carbamate |
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 | | 5LH | | Name: | (phenylmethyl) ~{N}-[(9~{S},12~{S},15~{S})-9-(hydroxymethyl)-12-(2-methylpropyl)-6,11,14-tris(oxidanylidene)-1,5,10,13,18,19-hexazabicyclo[15.2.1]icosa-17(20),18-dien-15-yl]carbamate | | Formula: | C27 H39 N7 O6 | | SMILES: | CC(C)C[CH]1NC(=O)[CH](Cc2cn(CCCNC(=O)CC[CH](CO)NC1=O)nn2)NC(=O)OCc3ccccc3 | | InChi: | InChI=1S/C27H39N7O6/c1-18(2)13-22-25(37)29-20(16-35)9-10-24(36)28-11-6-12-34-15-21(32-33-34)14-23(26(38)30-22)31-27(39)40-17-19-7-4-3-5-8-19/h3-5,7-8,15,18,20,22-23,35H,6,9-14,16-17H2,1-2H3,(H,28,36)(H,29,37)(H,30,38)(H,31,39)/t20-,22-,23-/m0/s1 | | Definition date: | 2015-10-20 | | Last modified: | 2024-09-27 | | Release date: | 2016-05-04 | | Identifier: | (phenylmethyl) ~{N}-[(9~{S},12~{S},15~{S})-9-(hydroxymethyl)-12-(2-methylpropyl)-6,11,14-tris(oxidanylidene)-1,5,10,13,18,19-hexazabicyclo[15.2.1]icosa-17(20),18-dien-15-yl]carbamate |
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 | | 5LJ | | Name: | (phenylmethyl) ~{N}-[(12~{S},15~{S},18~{S})-15-(cyclohexylmethyl)-12-(hydroxymethyl)-9,14,17-tris(oxidanylidene)-1,8,13,16,21,22-hexazabicyclo[18.2.1]tricosa-20(23),21-dien-18-yl]carbamate | | Formula: | C33 H49 N7 O6 | | SMILES: | OC[CH]1CCC(=O)NCCCCCCn2cc(C[CH](NC(=O)OCc3ccccc3)C(=O)N[CH](CC4CCCCC4)C(=O)N1)nn2 | | InChi: | InChI=1S/C33H49N7O6/c41-22-26-15-16-30(42)34-17-9-1-2-10-18-40-21-27(38-39-40)20-29(37-33(45)46-23-25-13-7-4-8-14-25)32(44)36-28(31(43)35-26)19-24-11-5-3-6-12-24/h4,7-8,13-14,21,24,26,28-29,41H,1-3,5-6,9-12,15-20,22-23H2,(H,34,42)(H,35,43)(H,36,44)(H,37,45)/t26-,28-,29-/m0/s1 | | Definition date: | 2015-10-19 | | Last modified: | 2024-09-27 | | Release date: | 2016-05-04 | | Identifier: | (phenylmethyl) ~{N}-[(12~{S},15~{S},18~{S})-15-(cyclohexylmethyl)-12-(hydroxymethyl)-9,14,17-tris(oxidanylidene)-1,8,13,16,21,22-hexazabicyclo[18.2.1]tricosa-20(23),21-dien-18-yl]carbamate |
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 | | G0R | | Name: | N-(4-carbamimidamidobutyl)ethanamide | | Formula: | 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) | | Definition date: | 2020-07-14 | | Last modified: | 2024-09-27 | | Release date: | 2021-07-21 | | Identifier: | ~{N}-(4-carbamimidamidobutyl)ethanamide |
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 | | 5LL | | Name: | 5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione | | Formula: | C11 H8 N2 O4 | | SMILES: | O=C1NC(=O)C(=CC=Cc2occc2)C(=O)N1 | | InChi: | InChI=1S/C11H8N2O4/c14-9-8(10(15)13-11(16)12-9)5-1-3-7-4-2-6-17-7/h1-6H,(H2,12,13,14,15,16)/b3-1+ | | Definition date: | 2015-10-20 | | Last modified: | 2024-09-27 | | Release date: | 2016-10-19 | | Identifier: | 5-[(~{E})-3-(furan-2-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione |
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 | | 5LM | | Name: | 5-[(E)-3-thiophen-2-ylprop-2-enylidene]-1,3-diazinane-2,4,6-trione | | Formula: | C11 H8 N2 O3 S | | SMILES: | O=C1NC(=O)C(=CC=Cc2sccc2)C(=O)N1 | | InChi: | InChI=1S/C11H8N2O3S/c14-9-8(10(15)13-11(16)12-9)5-1-3-7-4-2-6-17-7/h1-6H,(H2,12,13,14,15,16)/b3-1+ | | Definition date: | 2015-10-20 | | Last modified: | 2024-09-27 | | Release date: | 2016-10-19 | | Identifier: | 5-[(~{E})-3-thiophen-2-ylprop-2-enylidene]-1,3-diazinane-2,4,6-trione |
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 | | G16 | | Name: | 1,6-di-O-phosphono-alpha-D-glucopyranose | | Formula: | 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 | | Synonyms: | ALPHA-D-GLUCOSE 1,6-BISPHOSPHATE | | Definition date: | 1999-08-11 | | Last modified: | 2024-09-27 | | Identifier: | 1-O-(hydroxyphosphinato)-6-O-phosphono-alpha-D-glucopyranose |
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 | | G1H | | Name: | 2-[(2~{S},6~{R})-2,6-dimethylpiperidin-1-yl]-8-nitro-6-(trifluoromethyl)-1,3-benzoxazin-4-one | | Formula: | 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+ | | Definition date: | 2018-08-21 | | Last modified: | 2024-09-27 | | Release date: | 2018-08-29 | | Identifier: | 2-[(2~{S},6~{R})-2,6-dimethylpiperidin-1-yl]-8-nitro-6-(trifluoromethyl)-1,3-benzoxazin-4-one |
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 | | G1T | | Name: | 8-(oxidanylamino)-2-piperidin-1-yl-6-(trifluoromethyl)-1,3-benzothiazin-4-one | | Formula: | 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 | | Definition date: | 2018-08-22 | | Last modified: | 2024-09-27 | | Release date: | 2018-09-19 | | Identifier: | 8-(oxidanylamino)-2-piperidin-1-yl-6-(trifluoromethyl)-1,3-benzothiazin-4-one |
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 | | G1X | | Name: | (2S)-2-azanyl-3-[3,4-bis(oxidanylidene)cyclohexa-1,5-dien-1-yl]propanoic acid | | Formula: | 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 | | Synonyms: | L-dopaquinone | | Definition date: | 2020-07-15 | | Last modified: | 2024-09-27 | | Release date: | 2021-06-16 | | Identifier: | (2~{S})-2-azanyl-3-[3,4-bis(oxidanylidene)cyclohexa-1,5-dien-1-yl]propanoic acid |
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 | | 5MW | | Name: | (2~{S})-5-[4-(aminomethyl)-1,2,3-triazol-1-yl]-2-azanyl-pentanoic acid | | Formula: | C8 H15 N5 O2 | | SMILES: | NCc1cn(CCC[CH](N)C(O)=O)nn1 | | InChi: | InChI=1S/C8H15N5O2/c9-4-6-5-13(12-11-6)3-1-2-7(10)8(14)15/h5,7H,1-4,9-10H2,(H,14,15)/t7-/m0/s1 | | Definition date: | 2015-10-23 | | Last modified: | 2024-09-27 | | Release date: | 2016-05-18 | | Identifier: | (2~{S})-5-[4-(aminomethyl)-1,2,3-triazol-1-yl]-2-azanyl-pentanoic acid |
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 | | G2F | | Name: | 2-deoxy-2-fluoro-alpha-D-glucopyranose | | Formula: | 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 | | Synonyms: | 2-deoxy-2-fluoro-alpha-D-glucose | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 2-deoxy-2-fluoro-alpha-D-glucopyranose |
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 | | 5NH | | Name: | 1,1-DIMETHYLETHYL [1-CYCLOHEXYL-2-[3-[[[1-[2-[[2-[[2-(DIMETHYLAMINO)-2-OXO-1-PHENYLETHYL]AMINO]-2-OXOETHYL]AMINO]-1,2-DIOXOETHYL]PENTYL]AMINO]CARBONYL]-2-AZABICYCLO[2.2.1]HEPTAN-2-YL]-2-OXOETHYL]CARBAMATE | | Formula: | C39 H58 N6 O8 | | SMILES: | O=C(N2C(C(=O)NC(C(=O)C(=O)NCC(=O)NC(c1ccccc1)C(=O)N(C)C)CCCC)C3CC2CC3)C(NC(=O)OC(C)(C)C)C4CCCCC4 | | InChi: | InChI=1S/C39H58N6O8/c1-7-8-19-28(33(47)35(49)40-23-29(46)42-30(36(50)44(5)6)24-15-11-9-12-16-24)41-34(48)32-26-20-21-27(22-26)45(32)37(51)31(25-17-13-10-14-18-25)43-38(52)53-39(2,3)4/h9,11-12,15-16,25-28,30-32H,7-8,10,13-14,17-23H2,1-6H3,(H,40,49)(H,41,48)(H,42,46)(H,43,52)/t26-,27+,28-,30-,31-,32-/m0/s1 | | Definition date: | 2005-12-23 | | Last modified: | 2024-09-27 | | Identifier: | tert-butyl {(1S)-1-cyclohexyl-2-[(1R,3S,4S)-3-{[(1S)-1-{[(2-{[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino}-2-oxoethyl)amino](oxo)acetyl}pentyl]carbamoyl}-2-azabicyclo[2.2.1]hept-2-yl]-2-oxoethyl}carbamate |
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 | | 5NJ | | Name: | 6-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-4-oxidanylidene-hexanoic acid | | Formula: | C13 H18 N O8 P | | SMILES: | Cc1ncc(CO[P](O)(O)=O)c(CCC(=O)CCC(O)=O)c1O | | InChi: | InChI=1S/C13H18NO8P/c1-8-13(18)11(4-2-10(15)3-5-12(16)17)9(6-14-8)7-22-23(19,20)21/h6,18H,2-5,7H2,1H3,(H,16,17)(H2,19,20,21) | | Definition date: | 2015-10-27 | | Last modified: | 2024-09-27 | | Release date: | 2016-10-19 | | Identifier: | 6-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-4-oxidanylidene-hexanoic acid |
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 | | G2Z | | Name: | [(2~{S})-2-azanylpropyl]carbamic acid | | Formula: | 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 | | Definition date: | 2018-08-23 | | Last modified: | 2024-09-27 | | Release date: | 2021-02-17 | | Identifier: | [(2~{S})-2-azanylpropyl]carbamic acid |
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 | | G3H | | Name: | GLYCERALDEHYDE-3-PHOSPHATE | | Formula: | 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 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | (2R)-2-hydroxy-3-oxopropyl dihydrogen phosphate |
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 | | G3P | | Name: | SN-GLYCEROL-3-PHOSPHATE | | Formula: | C3 H9 O6 P | | SMILES: | O=P(OCC(O)CO)(O)O | | InChi: | InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/t3-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | (2R)-2,3-dihydroxypropyl dihydrogen phosphate |
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 | | 5OH | | Name: | (2S)-amino[(4R,6S)-2-amino-6-hydroxy-3,4,5,6-tetrahydropyrimidin-4-yl]ethanoic acid | | Formula: | C6 H12 N4 O3 | | SMILES: | N[CH]([CH]1C[CH](O)N=C(N)N1)C(O)=O | | InChi: | InChI=1S/C6H12N4O3/c7-4(5(12)13)2-1-3(11)10-6(8)9-2/h2-4,11H,1,7H2,(H,12,13)(H3,8,9,10)/t2-,3+,4+/m1/s1 | | Definition date: | 2010-02-05 | | Last modified: | 2024-09-27 | | Identifier: | (2S)-2-azanyl-2-[(4S,6R)-2-azanyl-4-hydroxy-1,4,5,6-tetrahydropyrimidin-6-yl]ethanoic acid |
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 | | 5OL | | Name: | N~6~-(1,1-dihydroxyethyl)-L-lysine | | Formula: | C8 H18 N2 O4 | | SMILES: | C(CCCCNC(C)(O)O)(C(=O)O)N | | InChi: | InChI=1S/C8H18N2O4/c1-8(13,14)10-5-3-2-4-6(9)7(11)12/h6,10,13-14H,2-5,9H2,1H3,(H,11,12)/t6-/m0/s1 | | Definition date: | 2015-10-29 | | Last modified: | 2024-09-27 | | Release date: | 2016-07-27 | | Identifier: | N~6~-(1,1-dihydroxyethyl)-L-lysine |
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 | | 5OM | | Name: | (2S)-2-amino-8,8-dihydroxy-8-[(2S)-oxiran-2-yl]octanoic acid | | Formula: | C10 H19 N O5 | | SMILES: | OC(CCCCCC(N)C(=O)O)(O)C1OC1 | | InChi: | InChI=1S/C10H19NO5/c11-7(9(12)13)4-2-1-3-5-10(14,15)8-6-16-8/h7-8,14-15H,1-6,11H2,(H,12,13)/t7-,8-/m0/s1 | | Definition date: | 2015-10-29 | | Last modified: | 2024-09-27 | | Release date: | 2016-07-27 | | Identifier: | (2S)-2-amino-8,8-dihydroxy-8-[(2S)-oxiran-2-yl]octanoic acid |
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