 | | 779 | | Name: | 1-[(1R,3S)-3-{[(2E,4R)-4-(2-cyclohexylethyl)-2-imino-1-methyl-5-oxoimidazolidin-4-yl]methyl}cyclohexyl]-3-phenylurea | | Formula: | C26 H39 N5 O2 | | SMILES: | O=C1N(C(=[N@H])NC1(CC3CCCC(NC(=O)Nc2ccccc2)C3)CCC4CCCCC4)C | | InChi: | InChI=1S/C26H39N5O2/c1-31-23(32)26(30-24(31)27,16-15-19-9-4-2-5-10-19)18-20-11-8-14-22(17-20)29-25(33)28-21-12-6-3-7-13-21/h3,6-7,12-13,19-20,22H,2,4-5,8-11,14-18H2,1H3,(H2,27,30)(H2,28,29,33)/t20-,22+,26+/m0/s1 | | Definition date: | 2014-09-08 | | Last modified: | 2020-05-27 | | Release date: | 2014-11-05 | | Identifier: | 1-[(1R,3S)-3-{[(2E,4R)-4-(2-cyclohexylethyl)-2-imino-1-methyl-5-oxoimidazolidin-4-yl]methyl}cyclohexyl]-3-phenylurea |
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 | | DJN | | Name: | N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide | | Formula: | C8 H16 N2 O4 | | SMILES: | O=C(NC1C(O)C(O)C(NC1)CO)C | | InChi: | InChI=1S/C8H16N2O4/c1-4(12)10-5-2-9-6(3-11)8(14)7(5)13/h5-9,11,13-14H,2-3H2,1H3,(H,10,12)/t5-,6+,7+,8-/m0/s1 | | Synonyms: | 2-acetamido-1,2-dideoxy-D-galacto-nojirimycin | | Definition date: | 2012-02-14 | | Last modified: | 2020-05-27 | | Release date: | 2012-10-05 | | Identifier: | N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide |
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 | | DK1 | | Name: | 5,7-DICHLORO-4-HYDROXYQUINOLINE-2-CARBOXYLIC ACID | | Formula: | C10 H5 Cl2 N O3 | | SMILES: | Clc1cc2nc(cc(O)c2c(Cl)c1)C(=O)O | | InChi: | InChI=1S/C10H5Cl2NO3/c11-4-1-5(12)9-6(2-4)13-7(10(15)16)3-8(9)14/h1-3H,(H,13,14)(H,15,16) | | Synonyms: | DCKA | | Definition date: | 2003-06-03 | | Last modified: | 2020-05-27 | | Identifier: | 5,7-dichloro-4-hydroxyquinoline-2-carboxylic acid |
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 | | S6P | | Name: | D-SORBITOL-6-PHOSPHATE | | Formula: | C6 H15 O9 P | | SMILES: | O=P(O)(O)OCC(O)C(O)C(O)C(O)CO | | InChi: | InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4+,5+,6+/m0/s1 | | Synonyms: | 1-O-PHOSPHONO-D-GLUCITOL | | Definition date: | 2004-10-28 | | Last modified: | 2020-05-27 | | Identifier: | 6-O-phosphono-D-glucitol |
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 | | SNL | | Name: | SPIRONOLACTONE | | Formula: | C24 H32 O4 S | | SMILES: | O=C5OC4(C3(C(C2C(SC(=O)C)CC1=CC(=O)CCC1(C)C2CC3)CC4)C)CC5 | | InChi: | InChI=1S/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19+,21+,22-,23-,24+/m0/s1 | | Synonyms: | 17-HYDROXY-7ALPHA-MERCAPTO-3-OXO-17ALPHA-PREGN-4-ENE-21- CARBOXYLIC ACID | | Definition date: | 2005-07-18 | | Last modified: | 2020-05-27 | | Identifier: | S-[(7R,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,9,10,11,12,13,14,15,16-hexadecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-yl] ethanethioate |
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 | | SCM | | Name: | SPECTINOMYCIN | | Formula: | C14 H24 N2 O7 | | SMILES: | O=C1C2(OC3C(NC)C(O)C(NC)C(O)C3OC2OC(C1)C)O | | InChi: | InChI=1S/C14H24N2O7/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14/h5,7-13,15-16,18-20H,4H2,1-3H3/t5-,7-,8+,9+,10+,11-,12-,13+,14+/m1/s1 | | Synonyms: | ACTINOSPECTACIN | | Definition date: | 2000-08-25 | | Last modified: | 2020-05-27 | | Identifier: | (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)decahydro-4H-pyrano[2,3-b][1,4]benzodioxin-4-one |
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 | | SSE | | Name: | 1,4-DIDEOXY-1,4-[[2S,3S)-2,4-DIHYDROXY-3-(SULFOXY)BUTYL]EPISELENONIUMYLIDENE]-D-ARABINITOL INNER SALT | | Formula: | C9 H18 O9 S Se | | SMILES: | [O-]S([O-])([O-])OC(CO)C(O)C[Se+]1C(CO)C(O)C(O)C1 | | InChi: | InChI=1S/C9H20O9SSe/c10-1-7(18-19(15,16)17)5(12)3-20-4-6(13)9(14)8(20)2-11/h5-14H,1-4H2,(H2-,15,16,17)/p-2/t5-,6-,7-,8-,9+,20-/m1/s1 | | Synonyms: | SELENO-SALACINOL | | Definition date: | 2004-06-22 | | Last modified: | 2020-05-27 | | Identifier: | ({[(1R,2S)-3-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydroselenophenium-1-yl]-2-hydroxy-1-(hydroxymethyl)propyl]oxy}-lambda~4~-sulfanetriyl)trioxidanide (non-preferred name) |
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 | | DR6 | | Name: | ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]-OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL) | | Formula: | C74 H142 O31 | | SMILES: | OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc1ccc(cc1)C(CC(C)(C)C)(C)C | | InChi: | InChI=1S/C74H142O31/c1-73(2,3)70-74(4,5)71-6-8-72(9-7-71)105-69-68-104-67-66-103-65-64-102-63-62-101-61-60-100-59-58-99-57-56-98-55-54-97-53-52-96-51-50-95-49-48-94-47-46-93-45-44-92-43-42-91-41-40-90-39-38-89-37-36-88-35-34-87-33-32-86-31-30-85-29-28-84-27-26-83-25-24-82-23-22-81-21-20-80-19-18-79-17-16-78-15-14-77-13-12-76-11-10-75/h6-9,75H,10-70H2,1-5H3 | | Synonyms: | OCTYLPHENOXYPOLYETHOXYETHANOL | | Definition date: | 2005-03-16 | | Last modified: | 2020-05-27 | | Identifier: | 89-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87-nonacosaoxanonaoctacontan-1-ol |
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 | | DRM | | Name: | {[(1R,2S)-2-(2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)CYCLOPENTYL]OXY}METHYLPHOSPHONIC ACID | | Formula: | C10 H15 N2 O6 P | | SMILES: | O=P(O)(O)COC2CCCC2N1C=CC(=O)NC1=O | | InChi: | InChI=1S/C10H15N2O6P/c13-9-4-5-12(10(14)11-9)7-2-1-3-8(7)18-6-19(15,16)17/h4-5,7-8H,1-3,6H2,(H,11,13,14)(H2,15,16,17)/t7-,8-/m1/s1 | | Synonyms: | 1-TRANS-(2-PHOSPHONOMETHOXYCYCLOPENTYL)URACIL | | Definition date: | 2003-09-17 | | Last modified: | 2020-05-27 | | Identifier: | ({[(1R,2R)-2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)cyclopentyl]oxy}methyl)phosphonic acid |
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 | | SU3 | | Name: | (5R,7S,10S)-10-tert-butyl-N-{(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethylcyclopropyl}-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide | | Formula: | C38 H55 N5 O9 S | | SMILES: | O=S(=O)(NC(=O)C5(NC(=O)C2N3C(=O)C(NC(=O)OCC(C)(C)CCCCc1cccc4c1CN(C(=O)OC(C2)C3)C4)C(C)(C)C)CC5CC)C6CC6 | | InChi: | InChI=1S/C38H55N5O9S/c1-7-25-18-38(25,33(46)41-53(49,50)27-14-15-27)40-31(44)29-17-26-20-43(29)32(45)30(36(2,3)4)39-34(47)51-22-37(5,6)16-9-8-11-23-12-10-13-24-19-42(21-28(23)24)35(48)52-26/h10,12-13,25-27,29-30H,7-9,11,14-22H2,1-6H3,(H,39,47)(H,40,44)(H,41,46)/t25-,26-,29+,30-,38-/m1/s1 | | Synonyms: | vaniprevir | | Definition date: | 2011-08-04 | | Last modified: | 2020-05-27 | | Release date: | 2012-08-31 | | Identifier: | (5R,7S,10S)-10-tert-butyl-N-{(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethylcyclopropyl}-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide |
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 | | RMC | | Name: | (2R)-2-({6-[BENZYL(METHYL)AMINO]-9-ISOPROPYL-9H-PURIN-2-YL}AMINO)BUTAN-1-OL | | Formula: | C20 H28 N6 O | | SMILES: | n2c1c(ncn1C(C)C)c(nc2NC(CC)CO)N(Cc3ccccc3)C | | InChi: | InChI=1S/C20H28N6O/c1-5-16(12-27)22-20-23-18(25(4)11-15-9-7-6-8-10-15)17-19(24-20)26(13-21-17)14(2)3/h6-10,13-14,16,27H,5,11-12H2,1-4H3,(H,22,23,24)/t16-/m1/s1 | | Synonyms: | N6-METHYL-(R)-ROSCOVITINE | | Definition date: | 2005-01-06 | | Last modified: | 2020-05-27 | | Identifier: | (2R)-2-({6-[benzyl(methyl)amino]-9-(1-methylethyl)-9H-purin-2-yl}amino)butan-1-ol |
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 | | HG9 | | Name: | 1-DEOXY-1-[(2-HYDROXYETHYL)(NONANOYL)AMINO]HEXITOL | | Formula: | C17 H35 N O7 | | SMILES: | O=C(N(CCO)CC(O)C(O)C(O)C(O)CO)CCCCCCCC | | InChi: | InChI=1S/C17H35NO7/c1-2-3-4-5-6-7-8-15(23)18(9-10-19)11-13(21)16(24)17(25)14(22)12-20/h13-14,16-17,19-22,24-25H,2-12H2,1H3/t13-,14+,16-,17+/m1/s1 | | Synonyms: | HG9A-9 | | Definition date: | 2004-03-23 | | Last modified: | 2020-05-27 | | Identifier: | 6-deoxy-6-[(2-hydroxyethyl)(nonanoyl)amino]-D-allitol |
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 | | HKS | | Name: | 3-{[(2S)-2-amino-2-carboxyethyl]sulfanyl}-5-hydroxy-L-tyrosine | | Formula: | C12 H16 N2 O6 S | | SMILES: | C(O)(C(N)Cc1cc(SCC(N)C(O)=O)c(c(c1)O)O)=O | | InChi: | InChI=1S/C12H16N2O6S/c13-6(11(17)18)1-5-2-8(15)10(16)9(3-5)21-4-7(14)12(19)20/h2-3,6-7,15-16H,1,4,13-14H2,(H,17,18)(H,19,20)/t6-,7+/m0/s1 | | Synonyms: | 5-cysteinyl-3,4-dihydroxyphenylalanine | | Definition date: | 2018-07-10 | | Last modified: | 2020-05-27 | | Release date: | 2019-05-22 | | Identifier: | 3-{[(2S)-2-amino-2-carboxyethyl]sulfanyl}-5-hydroxy-L-tyrosine |
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 | | HMT | | Name: | (3beta)-O~3~-[(2R)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine | | Formula: | C29 H39 N O9 | | SMILES: | O=C(OC)CC(O)(C(=O)OC5C(OC)=CC41N(CCC1)CCc3c(cc2OCOc2c3)C45)CCCC(O)(C)C | | InChi: | InChI=1S/C29H39NO9/c1-27(2,33)8-5-10-29(34,16-23(31)36-4)26(32)39-25-22(35-3)15-28-9-6-11-30(28)12-7-18-13-20-21(38-17-37-20)14-19(18)24(25)28/h13-15,24-25,33-34H,5-12,16-17H2,1-4H3/t24-,25-,28+,29-/m1/s1 | | Synonyms: | Homoharringtonine | | Definition date: | 2009-02-16 | | Last modified: | 2020-05-27 | | Identifier: | (3beta)-O~3~-[(2R)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine |
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 | | HRM | | Name: | 7-METHOXY-1-METHYL-9H-BETA-CARBOLINE | | Formula: | C13 H12 N2 O | | SMILES: | n3ccc2c1c(cc(OC)cc1)nc2c3C | | InChi: | InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3 | | Synonyms: | 7-METHOXY-1-METHYL-9H-PYRIDO[3,4-B]INDOL | | Definition date: | 2007-07-25 | | Last modified: | 2020-05-27 | | Identifier: | 7-methoxy-1-methyl-9H-beta-carboline |
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 | | G2I | | Name: | (3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl 4-O-beta-D-glucopyranosyl-beta-D-glucopyranoside | | Formula: | C18 H33 N O13 | | SMILES: | O(C1C(O)CNCC1CO)C3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)CO | | InChi: | InChI=1S/C18H33NO13/c20-3-6-1-19-2-7(23)15(6)31-18-14(28)12(26)16(9(5-22)30-18)32-17-13(27)11(25)10(24)8(4-21)29-17/h6-28H,1-5H2/t6-,7-,8-,9-,10-,11+,12-,13-,14-,15-,16-,17+,18+/m1/s1 | | Synonyms: | Cellotriose-like isofagomine | | Definition date: | 2008-04-24 | | Last modified: | 2020-05-27 | | Identifier: | (3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl 4-O-beta-D-glucopyranosyl-beta-D-glucopyranoside |
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 | | G3I | | Name: | (3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranoside | | Formula: | C24 H43 N O18 | | SMILES: | O(C2C(OC(OC1C(CO)CNCC1O)C(O)C2O)CO)C4OC(C(OC3OC(CO)C(O)C(O)C3O)C(O)C4O)CO | | InChi: | InChI=1S/C24H43NO18/c26-3-7-1-25-2-8(30)19(7)41-23-17(36)14(33)21(10(5-28)39-23)43-24-18(37)15(34)20(11(6-29)40-24)42-22-16(35)13(32)12(31)9(4-27)38-22/h7-37H,1-6H2/t7-,8-,9-,10-,11-,12-,13+,14-,15-,16-,17-,18-,19-,20-,21-,22+,23+,24+/m1/s1 | | Synonyms: | Cellotetraose-like isofagomine | | Definition date: | 2008-04-17 | | Last modified: | 2020-05-27 | | Identifier: | (3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranoside |
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 | | HWG | | Name: | N-(TERT-BUTYL)-3,5-DIMETHYL-N'-[(5-METHYL-2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)CARBONYL]BENZOHYDRAZIDE | | Formula: | C23 H28 N2 O4 | | SMILES: | O=C(c1cc(cc(c1)C)C)N(NC(=O)c3ccc2OCCOc2c3C)C(C)(C)C | | InChi: | InChI=1S/C23H28N2O4/c1-14-11-15(2)13-17(12-14)22(27)25(23(4,5)6)24-21(26)18-7-8-19-20(16(18)3)29-10-9-28-19/h7-8,11-13H,9-10H2,1-6H3,(H,24,26) | | Synonyms: | 3,5-DIMETHYL-BENZOIC ACID N-TERT-BUTYL-N'-(5-METHYL-2,3-DIHYDRO-BENZO[1,4]DIOXINE-6-CARBONYL)-HYDRAZIDE | | Definition date: | 2003-11-05 | | Last modified: | 2020-05-27 | | Identifier: | N'-tert-butyl-N'-[(3,5-dimethylphenyl)carbonyl]-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide |
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 | | HYG | | Name: | HYGROMYCIN B | | Formula: | C20 H37 N3 O13 | | SMILES: | O1C4C(OC12OC(C(O)C(O)C2O)C(N)CO)C(O)C(OC4OC3C(O)C(N)CC(NC)C3O)CO | | InChi: | InChI=1S/C20H37N3O13/c1-23-7-2-5(21)9(26)15(10(7)27)33-19-17-16(11(28)8(4-25)32-19)35-20(36-17)18(31)13(30)12(29)14(34-20)6(22)3-24/h5-19,23-31H,2-4,21-22H2,1H3/t5-,6+,7+,8-,9+,10-,11+,12-,13-,14+,15-,16+,17-,18-,19+,20-/m1/s1 | | Synonyms: | HYGROMIX | | Definition date: | 2000-12-15 | | Last modified: | 2020-05-27 | | Identifier: | (2R,3'R,3aR,4S,4'R,5'R,6R,6'S,7S,7aS)-4-{[(1R,2S,3R,5S,6R)-3-amino-2,6-dihydroxy-5-(methylamino)cyclohexyl]oxy}-6'-[(1S)-1-amino-2-hydroxyethyl]-6-(hydroxymethyl)octahydro-4H-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-3',4',5',7-tetrol (non-preferred name) |
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 | | C2M | | Name: | 5-(3,4-DICHLOROPHENYL)-6-METHYLPYRIMIDINE-2,4-DIAMINE | | Formula: | C11 H10 Cl2 N4 | | SMILES: | Clc2ccc(c1c(nc(nc1C)N)N)cc2Cl | | InChi: | InChI=1S/C11H10Cl2N4/c1-5-9(10(14)17-11(15)16-5)6-2-3-7(12)8(13)4-6/h2-4H,1H3,(H4,14,15,16,17) | | Synonyms: | METOPRINE | | Definition date: | 2005-09-01 | | Last modified: | 2020-05-27 | | Identifier: | 5-(3,4-dichlorophenyl)-6-methylpyrimidine-2,4-diamine |
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 | | C2R | | Name: | 5-AMINO-1-(5-O-PHOSPHONO-BETA-D-RIBOFURANOSYL)-1H-IMIDAZOLE-4-CARBOXYLIC ACID | | Formula: | C9 H14 N3 O9 P | | SMILES: | O=C(O)c1ncn(c1N)C2OC(C(O)C2O)COP(=O)(O)O | | InChi: | InChI=1S/C9H14N3O9P/c10-7-4(9(15)16)11-2-12(7)8-6(14)5(13)3(21-8)1-20-22(17,18)19/h2-3,5-6,8,13-14H,1,10H2,(H,15,16)(H2,17,18,19)/t3-,5-,6-,8-/m1/s1 | | Synonyms: | CAIR | | Definition date: | 2006-04-25 | | Last modified: | 2020-05-27 | | Identifier: | 5-amino-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole-4-carboxylic acid |
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 | | DXT | | Name: | (4S,4AR,5S,5AR,6R,12AS)-4-(DIMETHYLAMINO)-3,5,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE | | Formula: | C22 H24 N2 O8 | | SMILES: | O=C3C2=C(O)C1(O)C(=O)C(=C(O)C(N(C)C)C1C(O)C2C(c4cccc(O)c34)C)C(=O)N | | InChi: | InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31)/t7-,10+,14+,15-,17-,22-/m0/s1 | | Synonyms: | DOXYTETRACYCLINE | | Definition date: | 2006-12-27 | | Last modified: | 2020-05-27 | | Identifier: | (4S,4aR,5S,5aR,6R,12aS)-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide |
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 | | E55 | | Name: | 3-O-DECYL-2-DEOXY-6-O-{2-DEOXY-3-O-[(3R)-3-METHOXYDECYL]-6-O-METHYL-2-[(11Z)-OCTADEC-11-ENOYLAMINO]-4-O-PHOSPHONO-BETA-D-GLUCOPYRANOSYL}-2-[(3-OXOTETRADECANOYL)AMINO]-1-O-PHOSPHONO-ALPHA-D-GLUCOPYRANOSE | | Formula: | C66 H126 N2 O19 P2 | | SMILES: | O=P(OC1OC(C(O)C(OCCCCCCCCCC)C1NC(=O)CC(=O)CCCCCCCCCCC)COC2OC(COC)C(OP(=O)(O)O)C(OCCC(OC)CCCCCCC)C2NC(=O)CCCCCCCCCC=C/CCCCCC)(O)O | | InChi: | InChI=1S/C66H126N2O19P2/c1-7-11-15-19-22-25-26-27-28-29-30-32-34-38-42-46-57(70)67-60-64(82-49-47-54(80-6)45-41-36-18-14-10-4)62(86-88(73,74)75)56(51-79-5)85-65(60)83-52-55-61(72)63(81-48-43-39-35-24-21-17-13-9-3)59(66(84-55)87-89(76,77)78)68-58(71)50-53(69)44-40-37-33-31-23-20-16-12-8-2/h25-26,54-56,59-66,72H,7-24,27-52H2,1-6H3,(H,67,70)(H,68,71)(H2,73,74,75)(H2,76,77,78)/b26-25-/t54-,55-,56-,59-,60-,61-,62-,63-,64-,65-,66-/m1/s1 | | Synonyms: | E5564 | | Definition date: | 2007-08-01 | | Last modified: | 2020-05-27 | | Identifier: | 3-O-decyl-2-deoxy-6-O-{2-deoxy-3-O-[(3R)-3-methoxydecyl]-6-O-methyl-2-[(11Z)-octadec-11-enoylamino]-4-O-phosphono-beta-D-glucopyranosyl}-2-[(3-oxotetradecanoyl)amino]-1-O-phosphono-alpha-D-glucopyranose |
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 | | GB0 | | Name: | Bacteriochlorophyll g' | | Formula: | C50 H58 Mg N4 O5 | | SMILES: | C(C=C(/C)CCC=C(CCC=C(/C)C)C)OC(CCC=4C5=C2C1=N7C(C(=C1C(C2C(=O)OC)=O)C)=Cc9c(c(c8C=C3N6=C(C(=C3CC)C)C=C(C=4C)N5[Mg]67n89)C)CC)=O | | InChi: | InChI=1S/C50H59N4O5.Mg/c1-12-34-30(7)37-24-39-32(9)36(20-21-43(55)59-23-22-29(6)19-15-18-28(5)17-14-16-27(3)4)47(53-39)45-46(50(57)58-11)49(56)44-33(10)40(54-48(44)45)26-42-35(13-2)31(8)38(52-42)25-41(34)51-37 | | Definition date: | 2017-08-11 | | Last modified: | 2020-05-27 | | Release date: | 2017-09-06 | | Identifier: | [methyl 9,14-diethyl-4,8,13,18-tetramethyl-20-oxo-3-{3-oxo-3-[(3,7,11-trimethyldodeca-2,6,10-trien-1-yl)oxy]propyl}-3,4,23,25-tetradehydro-24,26-dihydrophorbine-21-carboxylatato(2-)-kappa~4~N~23~,N~24~,N~25~,N~26~]magnesium |
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 | | GSN | | Name: | 2-AMINO-5-[1-(CARBOXYLATOMETHYLCARBAMOYL)-2-NITROSOSULFANYL-ETHYL]AMINO-5-OXO-PENTANOATE | | Formula: | C10 H14 N4 O7 S | | SMILES: | O=C(NC(C(=O)NCC([O-])=O)CSN=O)CCC(C([O-])=O)N | | InChi: | InChI=1S/C10H16N4O7S/c11-5(10(19)20)1-2-7(15)13-6(4-22-14-21)9(18)12-3-8(16)17/h5-6H,1-4,11H2,(H,12,18)(H,13,15)(H,16,17)(H,19,20)/p-2/t5-,6-/m0/s1 | | Synonyms: | S-NITROSOGLUTATHIONE | | Definition date: | 2005-06-28 | | Last modified: | 2020-05-27 | | Identifier: | (2S)-2-amino-5-({(1R)-2-[(carboxylatomethyl)amino]-1-[(nitrososulfanyl)methyl]-2-oxoethyl}amino)-5-oxopentanoate |
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