 | | DSZ | | Name: | 5'-O-(L-alpha-aspartylsulfamoyl)adenosine | | Formula: | C14 H19 N7 O9 S | | SMILES: | O=C(O)CC(N)C(=O)NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O | | InChi: | InChI=1S/C14H19N7O9S/c15-5(1-7(22)23)13(26)20-31(27,28)29-2-6-9(24)10(25)14(30-6)21-4-19-8-11(16)17-3-18-12(8)21/h3-6,9-10,14,24-25H,1-2,15H2,(H,20,26)(H,22,23)(H2,16,17,18)/t5-,6+,9+,10+,14+/m0/s1 | | Definition date: | 2011-03-28 | | Last modified: | 2011-06-04 | | Identifier: | 5'-O-(L-alpha-aspartylsulfamoyl)adenosine |
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 | | NLH | | Name: | (2R,5S)-5-amino-2-butyl-4,4-dihydroxynonanoic acid | | Formula: | C13 H27 N O4 | | SMILES: | O=C(O)C(CCCC)CC(O)(O)C(N)CCCC | | InChi: | InChI=1S/C13H27NO4/c1-3-5-7-10(12(15)16)9-13(17,18)11(14)8-6-4-2/h10-11,17-18H,3-9,14H2,1-2H3,(H,15,16)/t10-,11+/m1/s1 | | Definition date: | 2008-06-06 | | Last modified: | 2011-06-04 | | Identifier: | (2R,5S)-5-amino-2-butyl-4,4-dihydroxynonanoic acid |
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 | | NLK | | Name: | (2R,5S)-5-amino-2-butyl-4-oxononanoic acid | | Formula: | C13 H25 N O3 | | SMILES: | O=C(CC(C(=O)O)CCCC)C(N)CCCC | | InChi: | InChI=1S/C13H25NO3/c1-3-5-7-10(13(16)17)9-12(15)11(14)8-6-4-2/h10-11H,3-9,14H2,1-2H3,(H,16,17)/t10-,11+/m1/s1 | | Definition date: | 2008-06-05 | | Last modified: | 2011-06-04 | | Identifier: | (2R,5S)-5-amino-2-butyl-4-oxononanoic acid |
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 | | OLZ | | Name: | O-(2-aminoethyl)-L-serine | | Formula: | C5 H12 N2 O3 | | SMILES: | O=C(O)C(N)COCCN | | InChi: | InChI=1S/C5H12N2O3/c6-1-2-10-3-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1 | | Definition date: | 2008-06-27 | | Last modified: | 2011-06-04 | | Identifier: | O-(2-aminoethyl)-L-serine |
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 | | ORX | | Name: | N~2~-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-D-ORNITHINE | | Formula: | C13 H22 N3 O7 P | | SMILES: | O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)CCCN | | InChi: | InChI=1S/C13H22N3O7P/c1-8-12(17)10(6-16-11(13(18)19)3-2-4-14)9(5-15-8)7-23-24(20,21)22/h5,11,16-17H,2-4,6-7,14H2,1H3,(H,18,19)(H2,20,21,22)/t11-/m1/s1 | | Definition date: | 2003-02-10 | | Last modified: | 2011-06-04 | | Identifier: | N~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-D-ornithine |
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 | | 00B | | Name: | (4R)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid | | Formula: | C6 H11 N O2 S | | SMILES: | O=C(O)C1NCSC1(C)C | | InChi: | InChI=1S/C6H11NO2S/c1-6(2)4(5(8)9)7-3-10-6/h4,7H,3H2,1-2H3,(H,8,9)/t4-/m1/s1 | | Definition date: | 2010-04-27 | | Last modified: | 2011-06-04 | | Identifier: | (4R)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid |
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 | | 00W | | Name: | 3-amino-6-carbamimidamido-3,4,5,6-tetradeoxy-L-erythro-hexonic acid | | Formula: | C7 H16 N4 O3 | | SMILES: | O=C(O)C(O)C(N)CCCNC(=[N@H])N | | InChi: | InChI=1S/C7H16N4O3/c8-4(5(12)6(13)14)2-1-3-11-7(9)10/h4-5,12H,1-3,8H2,(H,13,14)(H4,9,10,11)/t4-,5-/m0/s1 | | Definition date: | 2010-11-12 | | Last modified: | 2011-06-04 | | Identifier: | 3-amino-6-carbamimidamido-3,4,5,6-tetradeoxy-L-erythro-hexonic acid |
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 | | PA9 | | Name: | N~2~-acetyl-N~5~-(phosphonoacetyl)-L-ornithine | | Formula: | C9 H17 N2 O7 P | | SMILES: | O=C(NCCCC(C(=O)O)NC(=O)C)CP(=O)(O)O | | InChi: | InChI=1S/C9H17N2O7P/c1-6(12)11-7(9(14)15)3-2-4-10-8(13)5-19(16,17)18/h7H,2-5H2,1H3,(H,10,13)(H,11,12)(H,14,15)(H2,16,17,18)/t7-/m0/s1 | | Definition date: | 2008-06-03 | | Last modified: | 2011-06-04 | | Identifier: | N~2~-acetyl-N~5~-(phosphonoacetyl)-L-ornithine |
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 | | JM4 | | Name: | N~5~-{3-[(1-methylethyl)sulfanyl]propanimidoyl}-L-ornithine | | Formula: | C11 H23 N3 O2 S | | SMILES: | O=C(O)C(N)CCCNC(=[N@H])CCSC(C)C | | InChi: | InChI=1S/C11H23N3O2S/c1-8(2)17-7-5-10(13)14-6-3-4-9(12)11(15)16/h8-9H,3-7,12H2,1-2H3,(H2,13,14)(H,15,16)/t9-/m0/s1 | | Definition date: | 2009-09-17 | | Last modified: | 2011-06-04 | | Identifier: | N~5~-[(1Z)-3-(propan-2-ylsulfanyl)propanimidoyl]-L-ornithine |
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 | | JM6 | | Name: | N~5~-[4-(methylsulfanyl)butanimidoyl]-L-ornithine | | Formula: | C10 H21 N3 O2 S | | SMILES: | O=C(O)C(N)CCCNC(=[N@H])CCCSC | | InChi: | InChI=1S/C10H21N3O2S/c1-16-7-3-5-9(12)13-6-2-4-8(11)10(14)15/h8H,2-7,11H2,1H3,(H2,12,13)(H,14,15)/t8-/m0/s1 | | Definition date: | 2009-09-15 | | Last modified: | 2011-06-04 | | Identifier: | N~5~-[(1Z)-4-(methylsulfanyl)butanimidoyl]-L-ornithine |
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 | | O12 | | Name: | N~5~-dodecanoyl-L-ornithine | | Formula: | C17 H34 N2 O3 | | SMILES: | O=C(NCCCC(N)C(=O)O)CCCCCCCCCCC | | InChi: | InChI=1S/C17H34N2O3/c1-2-3-4-5-6-7-8-9-10-13-16(20)19-14-11-12-15(18)17(21)22/h15H,2-14,18H2,1H3,(H,19,20)(H,21,22)/t15-/m0/s1 | | Definition date: | 2008-02-25 | | Last modified: | 2011-06-04 | | Identifier: | N~5~-dodecanoyl-L-ornithine |
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 | | PL1 | | Name: | COBALT (III)-DEGLYCOPEPLEOMYCIN | | Formula: | C48 H68 Co N17 O12 S2 | | SMILES: | O=C(N)C(N)CNC(c1nc(N)c(c([n+]1[Co]OO)C(=O)NC(C(=O)NC(C)C(O)C(C(=O)NC(C(=O)NCCc2nc(cs2)c4nc(C(=O)NCCCNC(c3ccccc3)C)cs4)C(O)C)C)C(O)c5ncnc5)C)CC(=O)N | | InChi: | InChI=1S/C48H67N17O10S2.Co.H2O2/c1-22-35(62-42(65-40(22)51)29(16-33(50)67)57-17-28(49)41(52)70)46(74)64-37(39(69)30-18-53-21-58-30)47(75)59-25(4)38(68)23(2)43(71)63-36(26(5)66)45(73)56-15-12-34-60-32(20-76-34)48-61-31(19-77-48)44(72)55-14-9-13-54-24(3)27-10-7-6-8-11-27 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | For multi-component charged structures, a total zero charge is required! |
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 | | PR4 | | Name: | 1-[(2R)-2-carboxy-2-hydroxyethyl]-L-proline | | Formula: | C8 H13 N O5 | | SMILES: | O=C(O)C(O)CN1C(C(=O)O)CCC1 | | InChi: | InChI=1S/C8H13NO5/c10-6(8(13)14)4-9-3-1-2-5(9)7(11)12/h5-6,10H,1-4H2,(H,11,12)(H,13,14)/t5-,6+/m0/s1 | | Definition date: | 2010-04-02 | | Last modified: | 2011-06-04 | | Identifier: | 1-[(2R)-2-carboxy-2-hydroxyethyl]-L-proline |
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 | | PR7 | | Name: | 1-[(2S)-2-carboxy-2-hydroxyethyl]-L-proline | | Formula: | C8 H13 N O5 | | SMILES: | O=C(O)C(O)CN1C(C(=O)O)CCC1 | | InChi: | InChI=1S/C8H13NO5/c10-6(8(13)14)4-9-3-1-2-5(9)7(11)12/h5-6,10H,1-4H2,(H,11,12)(H,13,14)/t5-,6-/m0/s1 | | Definition date: | 2010-06-07 | | Last modified: | 2011-06-04 | | Identifier: | 1-[(2S)-2-carboxy-2-hydroxyethyl]-L-proline |
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 | | DAK | | Name: | 4-(N,N-DIMETHYLAMINO)CINNAMOYL-COA | | Formula: | C32 H47 N8 O17 P3 S | | SMILES: | O=C(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)C=Cc4ccc(N(C)C)cc4 | | InChi: | InChI=1S/C32H47N8O17P3S/c1-32(2,27(44)30(45)35-12-11-22(41)34-13-14-61-23(42)10-7-19-5-8-20(9-6-19)39(3)4)16-54-60(51,52)57-59(49,50)53-15-21-26(56-58(46,47)48)25(43)31(55-21)40-18-38-24-28(33)36-17-37-29(24)40/h5-10,17-18,21,25-27,31,43-44H,11-16H2,1-4H3,(H,34,41)(H,35,45)(H,49,50)(H,51,52)(H2,33,36,37)(H2,46,47,48)/b10-7+/t21-,25-,26-,27+,31-/m1/s1 | | Definition date: | 2000-01-14 | | Last modified: | 2011-06-04 | | Identifier: | S-{(9R,13S,15R)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} (2E)-3-[4-(dimethylamino)phenyl]prop-2-enethioate (non-preferred name) |
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