| 2NF | Name: | [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]
[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1yl)- 3-fluoro-,4- hydroxyoxolan-2-yl]methyl phosphate | Formula: | C21 H26 F N7 O13 P2 | SMILES: | NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2F | InChi: | InChI=1S/C21H26FN7O13P2/c22-12-14(30)10(40-20(12)28-3-1-2-9(4-28)18(24)33)5-38-43(34,35)42-44(36,37)39-6-11-15(31)16(32)21(41-11)29-8-27-13-17(23)25-7-26-19(13)29/h1-4,7-8,10-12,14-16,20-21,30-32H,5-6H2,(H5-,23,24,25,26,33,34,35,36,37)/t10-,11-,12-,14-,15-,16-,20-,21-/m1/s1 | Synonyms: | nicotinamide 2'-deoxy-2'-fluororibofuranosyl adenine dinucleotide | Definition date: | 2009-03-27 | Last modified: | 2024-09-27 | Identifier: | [(2R,3R,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-4-fluoro-3-hydroxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphate |
|
| HL5 | Name: | (2S,4R)-5-hydroxyleucine | Formula: | C6 H13 N O3 | SMILES: | C[CH](CO)C[CH](N)C(O)=O | InChi: | InChI=1S/C6H13NO3/c1-4(3-8)2-5(7)6(9)10/h4-5,8H,2-3,7H2,1H3,(H,9,10)/t4-,5+/m1/s1 | Definition date: | 2017-03-07 | Last modified: | 2024-09-27 | Release date: | 2017-10-04 | Identifier: | (2~{S},4~{R})-2-azanyl-4-methyl-5-oxidanyl-pentanoic acid |
|
| HLB | Name: | 5-[3,3-dimethyl-2-[5-(1,3,3-trimethylindol-2-ylidene)penta-1,3-dienyl]indol-1-ium-1-yl]-~{N}-[8-[[(1~{R},2~{S},3~{S},4~{S},5~{R})-2,3,4,5-tetrakis(oxidanyl)cyclohexyl]amino]octyl]pentanamide | Formula: | C45 H65 N4 O5 | SMILES: | CN1c2ccccc2C(C)(C)C1=CC=CC=CC3=[N+](CCCCC(=O)NCCCCCCCCN[CH]4C[CH](O)[CH](O)[CH](O)[CH]4O)c5ccccc5C3(C)C | InChi: | InChI=1S/C45H64N4O5/c1-44(2)32-21-13-15-23-35(32)48(5)38(44)25-11-10-12-26-39-45(3,4)33-22-14-16-24-36(33)49(39)30-20-17-27-40(51)47-29-19-9-7-6-8-18-28-46-34-31-37(50)42(53)43(54)41(34)52/h10-16,21-26,34,37,41-43,46,50,52-54H,6-9,17-20,27-31H2,1-5H3/p+1/t34-,37-,41+,42+,43+/m1/s1 | Definition date: | 2018-12-13 | Last modified: | 2024-09-27 | Release date: | 2019-06-05 | Identifier: | 5-[3,3-dimethyl-2-[5-(1,3,3-trimethylindol-2-ylidene)penta-1,3-dienyl]indol-1-ium-1-yl]-~{N}-[8-[[(1~{R},2~{S},3~{S},4~{S},5~{R})-2,3,4,5-tetrakis(oxidanyl)cyclohexyl]amino]octyl]pentanamide |
|
| 2NO | Name: | NITROGEN DIOXIDE | Formula: | N O2 | SMILES: | ON=O | InChi: | InChI=1S/HNO2/c2-1-3/h(H,2,3) | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | nitrous acid |
|
| HLU | Name: | BETA-HYDROXYLEUCINE | Formula: | C6 H13 N O3 | SMILES: | O=C(O)C(N)C(O)C(C)C | InChi: | InChI=1S/C6H13NO3/c1-3(2)5(8)4(7)6(9)10/h3-5,8H,7H2,1-2H3,(H,9,10)/t4-,5-/m0/s1 | Definition date: | 2004-02-02 | Last modified: | 2024-09-27 | Identifier: | (2S,3S)-2-amino-3-hydroxy-4-methylpentanoic acid (non-preferred name) |
|
| HLX | Name: | 5-methyl-L-norleucine | Formula: | C7 H15 N O2 | SMILES: | O=C(O)C(N)CCC(C)C | InChi: | InChI=1S/C7H15NO2/c1-5(2)3-4-6(8)7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t6-/m0/s1 | Definition date: | 2013-03-28 | Last modified: | 2024-09-27 | Release date: | 2013-06-12 | Identifier: | 5-methyl-L-norleucine |
|
| HLY | Name: | (3~{R})-5-[[(5~{S})-5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl]amino]-3-methyl-3-oxidanyl-5-oxidanylidene-pentanoic acid | Formula: | C12 H22 N2 O6 | SMILES: | C[C](O)(CC(O)=O)CC(=O)NCCCC[CH](N)C(O)=O | InChi: | InChI=1S/C12H22N2O6/c1-12(20,7-10(16)17)6-9(15)14-5-3-2-4-8(13)11(18)19/h8,20H,2-7,13H2,1H3,(H,14,15)(H,16,17)(H,18,19)/t8-,12+/m0/s1 | Definition date: | 2017-07-22 | Last modified: | 2024-09-27 | Release date: | 2017-11-29 | Identifier: | (3~{R})-5-[[(5~{S})-5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl]amino]-3-methyl-3-oxidanyl-5-oxidanylidene-pentanoic acid |
|
| HM3 | Name: | (4-chloropyridin-2-yl)methanol | Formula: | C6 H6 Cl N O | SMILES: | Clc1ccnc(c1)CO | InChi: | InChI=1S/C6H6ClNO/c7-5-1-2-8-6(3-5)4-9/h1-3,9H,4H2 | Synonyms: | 4-chloro-2-hydroxymethylpyridine | Definition date: | 2011-04-14 | Last modified: | 2024-09-27 | Identifier: | (4-chloropyridin-2-yl)methanol |
|
| HM7 | Name: | 3-methylthioethane-pyrazinedione | Formula: | C8 H10 N2 O3 S2 | SMILES: | O=C1N=C(O)C(=NC1=C(/S)O)CCSC | InChi: | InChI=1S/C8H10N2O3S2/c1-15-3-2-4-6(11)10-7(12)5(9-4)8(13)14/h13-14H,2-3H2,1H3,(H,10,11,12)/b8-5- | Definition date: | 2011-04-18 | Last modified: | 2024-09-27 | Identifier: | (3Z)-6-hydroxy-3-[hydroxy(sulfanyl)methylidene]-5-[2-(methylsulfanyl)ethyl]pyrazin-2(3H)-one |
|
| HM8 | Name: | 2-[(1S,2R)-1-amino-2-(sulfooxy)propyl]-5-hydroxy-1,3-oxazole-4-carbothioic O-acid | Formula: | C7 H10 N2 O7 S2 | SMILES: | S=C(O)c1nc(oc1O)C(N)C(OS(=O)(=O)O)C | InChi: | InChI=1S/C7H10N2O7S2/c1-2(16-18(12,13)14)3(8)5-9-4(7(11)17)6(10)15-5/h2-3,10H,8H2,1H3,(H,11,17)(H,12,13,14)/t2-,3+/m1/s1 | Definition date: | 2011-04-18 | Last modified: | 2024-09-27 | Identifier: | 2-[(1S,2R)-1-amino-2-(sulfooxy)propyl]-5-hydroxy-1,3-oxazole-4-carbothioic O-acid |
|
| HM9 | Name: | 6-(3-CARBAMIMIDAMIDOPROPYL)-3,5-DIHYDROXYPYRAZINE-2-CARBOTHIOIC S-ACID | Formula: | C9 H13 N5 O3 S | SMILES: | O=C(S)c1nc(c(O)nc1O)CCCNC(=[N@H])N | InChi: | InChI=1S/C9H13N5O3S/c10-9(11)12-3-1-2-4-6(15)14-7(16)5(13-4)8(17)18/h1-3H2,(H,17,18)(H4,10,11,12)(H2,14,15,16) | Definition date: | 2011-04-18 | Last modified: | 2024-09-27 | Identifier: | 6-(3-carbamimidamidopropyl)-3,5-dihydroxypyrazine-2-carbothioic S-acid |
|
| 2ON | Name: | 2-sulfanyl-1,9-dihydro-6H-purin-6-one | Formula: | C5 H4 N4 O S | SMILES: | O=C1c2ncnc2N=C(S)N1 | InChi: | InChI=1S/C5H4N4OS/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11) | Definition date: | 2014-04-23 | Last modified: | 2024-09-27 | Release date: | 2015-04-01 | Identifier: | 2-sulfanyl-1,9-dihydro-6H-purin-6-one |
|
| HMB | Name: | (4S)-4-hydroxy-4-methoxybutanoic acid | Formula: | C5 H10 O4 | SMILES: | O=C(O)CCC(O)OC | InChi: | InChI=1S/C5H10O4/c1-9-5(8)3-2-4(6)7/h5,8H,2-3H2,1H3,(H,6,7)/t5-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | (4S)-4-hydroxy-4-methoxybutanoic acid |
|
| 2OP | Name: | (2S)-2-HYDROXYPROPANOIC ACID | Formula: | C3 H6 O3 | SMILES: | O=C(O)C(O)C | InChi: | InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m0/s1 | Definition date: | 2004-12-29 | Last modified: | 2024-09-27 | Identifier: | (2S)-2-hydroxypropanoic acid |
|
| 2OR | Name: | amino{[(2R,3R,4S)-4-amino-2,3,5-trihydroxy-5-oxopentyl]amino}methaniminium | Formula: | C6 H15 N4 O4 | SMILES: | O=C(O)C(N)C(O)C(O)CNC(=[NH2+])N | InChi: | InChI=1S/C6H14N4O4/c7-3(5(13)14)4(12)2(11)1-10-6(8)9/h2-4,11-12H,1,7H2,(H,13,14)(H4,8,9,10)/p+1/t2-,3+,4+/m1/s1 | Definition date: | 2013-08-28 | Last modified: | 2024-09-27 | Release date: | 2014-06-25 | Identifier: | amino{[(2R,3R,4S)-4-amino-2,3,5-trihydroxy-5-oxopentyl]amino}methaniminium |
|
| HMF | Name: | 2-AMINO-4-PHENYL-BUTYRIC ACID | Formula: | C10 H13 N O2 | SMILES: | O=C(O)C(N)CCc1ccccc1 | InChi: | InChI=1S/C10H13NO2/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m1/s1 | Synonyms: | D-BETA-HOMOPHENYLALANINE | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | (2R)-2-amino-4-phenylbutanoic acid |
|
| HMG | Name: | 3-HYDROXY-3-METHYLGLUTARYL-COENZYME A | Formula: | C27 H39 N7 O20 P3 S | SMILES: | [O-]C(=O)CC(O)(C)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP([O-])([O-])=O | InChi: | InChI=1S/C27H44N7O20P3S/c1-26(2,21(40)24(41)30-5-4-15(35)29-6-7-58-17(38)9-27(3,42)8-16(36)37)11-51-57(48,49)54-56(46,47)50-10-14-20(53-55(43,44)45)19(39)25(52-14)34-13-33-18-22(28)31-12-32-23(18)34/h12-14,19-21,25,39-40,42H,4-11H2,1-3H3,(H,29,35)(H,30,41)(H,36,37)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45)/p-5/t14-,19-,20-,21+,25-,27+/m1/s1 | Synonyms: | (S)-HMG-COA | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | (9R,21S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)tetrahydrofuran-2-yl]-9,21-dihydroxy-8,8,21-trimethyl-3,5-dioxido-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oate 3,5-dioxide (non-preferred name) |
|
| 2OY | Name: | N-[(2S,3S)-7-amino-1-chloro-2-hydroxyheptan-3-yl]-4-methylbenzenesulfonamide (Bound Form) | Formula: | C14 H23 Cl N2 O3 S | SMILES: | O=S(=O)(NC(CCCCN)C(O)CCl)c1ccc(cc1)C | InChi: | InChI=1S/C14H23ClN2O3S/c1-11-5-7-12(8-6-11)21(19,20)17-13(14(18)10-15)4-2-3-9-16/h5-8,13-14,17-18H,2-4,9-10,16H2,1H3/t13-,14+/m0/s1 | Synonyms: | Tosyllysine Chloromethyl Ketone (Bound Form) | Definition date: | 2013-12-19 | Last modified: | 2024-09-27 | Release date: | 2014-04-23 | Identifier: | N-[(2S,3S)-7-amino-1-chloro-2-hydroxyheptan-3-yl]-4-methylbenzenesulfonamide |
|
| 2P2 | Name: | 1-[(2R,5S)-2-tert-butyl-5-({(2S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)pyrrolidin-1-yl]-4-phenylbutan-1-one | Formula: | C25 H38 N2 O4 | SMILES: | O=C(N2C(C(=O)N1C(C(O)CO)CCC1)CCC2C(C)(C)C)CCCc3ccccc3 | InChi: | InChI=1S/C25H38N2O4/c1-25(2,3)22-15-14-20(24(31)26-16-8-12-19(26)21(29)17-28)27(22)23(30)13-7-11-18-9-5-4-6-10-18/h4-6,9-10,19-22,28-29H,7-8,11-17H2,1-3H3/t19-,20-,21-,22+/m0/s1 | Definition date: | 2012-03-15 | Last modified: | 2024-09-27 | Identifier: | (1R)-1-{(2S)-1-[(5R)-5-tert-butyl-1-(4-phenylbutanoyl)-L-prolyl]pyrrolidin-2-yl}ethane-1,2-diol |
|
| 2P3 | Name: | 5-[(2S)-2,3-dihydro-1,4-benzodioxin-2-yl]-2,4-dihydro-3H-1,2,4-triazole-3-thione | Formula: | C10 H9 N3 O2 S | SMILES: | S=C1NN=C(N1)C2Oc3ccccc3OC2 | InChi: | InChI=1S/C10H9N3O2S/c16-10-11-9(12-13-10)8-5-14-6-3-1-2-4-7(6)15-8/h1-4,8H,5H2,(H2,11,12,13,16)/t8-/m1/s1 | Definition date: | 2013-12-23 | Last modified: | 2024-09-27 | Release date: | 2014-08-20 | Identifier: | 5-[(2S)-2,3-dihydro-1,4-benzodioxin-2-yl]-2,4-dihydro-3H-1,2,4-triazole-3-thione |
|
| 2P4 | Name: | (5R)-N-benzyl-5-({(2S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)cyclopent-1-ene-1-carboxamide | Formula: | C20 H26 N2 O4 | SMILES: | O=C(N1C(C(O)CO)CCC1)C3C(C(=O)NCc2ccccc2)=CCC3 | InChi: | InChI=1S/C20H26N2O4/c23-13-18(24)17-10-5-11-22(17)20(26)16-9-4-8-15(16)19(25)21-12-14-6-2-1-3-7-14/h1-3,6-8,16-18,23-24H,4-5,9-13H2,(H,21,25)/t16-,17+,18+/m1/s1 | Definition date: | 2012-03-15 | Last modified: | 2024-09-27 | Identifier: | (5R)-N-benzyl-5-({(2S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)cyclopent-1-ene-1-carboxamide |
|
| HMR | Name: | BETA-HOMOARGININE | Formula: | C7 H16 N4 O2 | SMILES: | O=C(O)CC(N)CCCNC(=[N@H])N | InChi: | InChI=1S/C7H16N4O2/c8-5(4-6(12)13)2-1-3-11-7(9)10/h5H,1-4,8H2,(H,12,13)(H4,9,10,11)/t5-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | (3S)-3-amino-6-carbamimidamidohexanoic acid |
|
| 2P6 | Name: | (2S)-1-[1-(4-phenylbutanoyl)-L-prolyl]pyrrolidine-2-carbonitrile | Formula: | C20 H25 N3 O2 | SMILES: | O=C(N1C(C#N)CCC1)C3N(C(=O)CCCc2ccccc2)CCC3 | InChi: | InChI=1S/C20H25N3O2/c21-15-17-10-5-13-22(17)20(25)18-11-6-14-23(18)19(24)12-4-9-16-7-2-1-3-8-16/h1-3,7-8,17-18H,4-6,9-14H2/t17-,18-/m0/s1 | Definition date: | 2012-03-15 | Last modified: | 2024-09-27 | Identifier: | (2S)-1-[1-(4-phenylbutanoyl)-L-prolyl]pyrrolidine-2-carbonitrile |
|
| 2P8 | Name: | (2S)-N-benzyl-2-({(2S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)pyrrolidine-1-carboxamide | Formula: | C19 H27 N3 O4 | SMILES: | O=C(N1C(C(O)CO)CCC1)C3N(C(=O)NCc2ccccc2)CCC3 | InChi: | InChI=1S/C19H27N3O4/c23-13-17(24)15-8-4-10-21(15)18(25)16-9-5-11-22(16)19(26)20-12-14-6-2-1-3-7-14/h1-3,6-7,15-17,23-24H,4-5,8-13H2,(H,20,26)/t15-,16-,17-/m0/s1 | Definition date: | 2012-03-15 | Last modified: | 2024-09-27 | Identifier: | (2S)-N-benzyl-2-({(2S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)pyrrolidine-1-carboxamide |
|
| 2PB | Name: | 2-[(DIOXIDOPHOSPHINO)OXY]BENZOATE | Formula: | C7 H5 O5 P | SMILES: | O=P([O-])Oc1ccccc1C([O-])=O | InChi: | InChI=1S/C7H7O5P/c8-7(9)5-3-1-2-4-6(5)12-13(10)11/h1-4,13H,(H,8,9)(H,10,11)/p-2 | Definition date: | 2004-03-26 | Last modified: | 2024-09-27 | Identifier: | 2-[(dioxidophosphanyl)oxy]benzoate |
|