 | | 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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 | | CP0 | | Name: | (4S)-4,11-DIETHYL-4-HYDROXY-3,14-DIOXO-3,4,12,14-TETRAHYDRO-1H-PYRANO[3',4':6,7]INDOLIZINO[1,2-B]QUINOLIN-9-YL 1,4'-BIPIPERIDINE-1'-CARBOXYLATE | | Formula: | C33 H38 N4 O6 | | SMILES: | O=C7OCC=6C(=O)N2C(c1nc5c(c(c1C2)CC)cc(OC(=O)N4CCC(N3CCCCC3)CC4)cc5)=CC=6C7(O)CC | | InChi: | InChI=1S/C33H38N4O6/c1-3-22-23-16-21(43-32(40)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26-25(30(37)38)19-42-31(39)33(26,41)4-2/h8-9,16-17,20,41H,3-7,10-15,18-19H2,1-2H3/t33-/m0/s1 | | Synonyms: | IRINOTECAN | | Definition date: | 2004-08-02 | | Last modified: | 2020-05-27 | | Identifier: | (4S)-4,11-diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl 1,4'-bipiperidine-1'-carboxylate |
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 | | CQA | | Name: | 4-[(7-CHLOROQUINOLIN-4-YL)AMINO]-2-[(DIETHYLAMINO)METHYL]PHENOL | | Formula: | C20 H22 Cl N3 O | | SMILES: | Clc1cc2nccc(c2cc1)Nc3cc(c(O)cc3)CN(CC)CC | | InChi: | InChI=1S/C20H22ClN3O/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19/h5-12,25H,3-4,13H2,1-2H3,(H,22,23) | | Synonyms: | AMODIAQUINE | | Definition date: | 2005-08-31 | | Last modified: | 2020-05-27 | | Identifier: | 4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)methyl]phenol |
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 | | D2V | | Name: | (3S,5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraen-3-ol | | Formula: | C28 H44 O | | SMILES: | OC3CC(=C/C=C1CCCC2(C)C(C(/C=C/C(C)C(C)C)C)CCC12)/C(=C)CC3 | | InChi: | InChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1 | | Synonyms: | Vitamin D2 | | Definition date: | 2008-04-30 | | Last modified: | 2020-05-27 | | Identifier: | (3S,5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraen-3-ol |
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 | | 32Z | | Name: | 5-[4-(piperidin-1-yl)butoxy]-3,4-dihydroisoquinolin-1(2H)-one | | Formula: | C18 H26 N2 O2 | | SMILES: | O=C3c2cccc(OCCCCN1CCCCC1)c2CCN3 | | InChi: | InChI=1S/C18H26N2O2/c21-18-16-7-6-8-17(15(16)9-10-19-18)22-14-5-4-13-20-11-2-1-3-12-20/h6-8H,1-5,9-14H2,(H,19,21) | | Definition date: | 2014-06-05 | | Last modified: | 2020-05-27 | | Release date: | 2014-11-05 | | Identifier: | 5-[4-(piperidin-1-yl)butoxy]-3,4-dihydroisoquinolin-1(2H)-one |
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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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 | | M1L | | Name: | 2-({[(3E)-5-{4-[(DIMETHYLAMINO)(DIHYDROXY)-LAMBDA~4~-SULFANYL]PHENYL}-8-METHYL-2-OXO-6,7,8,9-TETRAHYDRO-1H-PYRROLO[3,2-H]ISOQUINOLIN-3(2H)-YLIDENE]AMINO}OXY)-4-HYDROXYBUTANOIC ACID | | Formula: | C24 H30 N4 O7 S | | SMILES: | O=C(O)C(ON=C2/c1cc(c3c(c1NC2=O)CN(CC3)C)c4ccc(cc4)S(O)(O)N(C)C)CCO | | InChi: | InChI=1S/C24H30N4O7S/c1-27(2)36(33,34)15-6-4-14(5-7-15)17-12-18-21(19-13-28(3)10-8-16(17)19)25-23(30)22(18)26-35-20(9-11-29)24(31)32/h4-7,12,20,29,33-34H,8-11,13H2,1-3H3,(H,31,32)(H,25,26,30)/t20-/m0/s1 | | Synonyms: | SPD 502 | | Definition date: | 2003-08-05 | | Last modified: | 2020-05-27 | | Identifier: | (2S)-2-({[(3E)-5-{4-[(dimethylamino)(dihydroxy)-lambda~4~-sulfanyl]phenyl}-8-methyl-2-oxo-1,2,6,7,8,9-hexahydro-3H-pyrrolo[3,2-h]isoquinolin-3-ylidene]amino}oxy)-4-hydroxybutanoic acid |
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 | | M77 | | Name: | 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE | | Formula: | C14 H17 N3 O2 S | | SMILES: | O=S(=O)(c2c1ccncc1ccc2)N3CCCNCC3 | | InChi: | InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2 | | Synonyms: | Fasudil | | Definition date: | 2003-08-26 | | Last modified: | 2020-05-27 | | Identifier: | 5-(1,4-diazepan-1-ylsulfonyl)isoquinoline |
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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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 | | MOI | | Name: | (7R,7AS,12BS)-3-METHYL-2,3,4,4A,7,7A-HEXAHYDRO-1H-4,12-METHANO[1]BENZOFURO[3,2-E]ISOQUINOLINE-7,9-DIOL | | Formula: | C17 H19 N O3 | | SMILES: | OC2C=CC5C4N(CCC51c3c(OC12)c(O)ccc3C4)C | | InChi: | InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1 | | Synonyms: | MORPHINE | | Definition date: | 2003-07-29 | | Last modified: | 2020-05-27 | | Identifier: | (5alpha,6beta)-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol |
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 | | MTI | | Name: | 3,4-DIHYDROXY-2-[(METHYLSULFANYL)METHYL]-5-(4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)PYRROLIDINIUM | | Formula: | C12 H17 N4 O3 S | | SMILES: | O=C1c2c(N=CN1)c(cn2)C3[NH2+]C(CSC)C(O)C3O | | InChi: | InChI=1S/C12H16N4O3S/c1-20-3-6-10(17)11(18)8(16-6)5-2-13-9-7(5)14-4-15-12(9)19/h2,4,6,8,10-11,13,16-18H,3H2,1H3,(H,14,15,19)/p+1/t6-,8+,10-,11+/m1/s1 | | Synonyms: | (1S)-1-(0-DEAZAHYPOXANTHIN-9-YL)-1,4-DIDEOXY-1,4-IMINO-5-METHYLTHIO-D-RIBITOL | | Definition date: | 2003-08-25 | | Last modified: | 2020-05-27 | | Identifier: | (2S,3R,4S,5S)-3,4-dihydroxy-2-[(methylsulfanyl)methyl]-5-(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)pyrrolidinium |
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 | | P30 | | Name: | 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-{7-[2-(morpholin-4-yl)ethoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl}phenyl)urea | | Formula: | C29 H32 N6 O4 S | | SMILES: | O=C(Nc1noc(c1)C(C)(C)C)Nc6ccc(c4nc5sc3c(ccc(OCCN2CCOCC2)c3)n5c4)cc6 | | InChi: | InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36) | | Synonyms: | Quizartinib | | Definition date: | 2014-11-14 | | Last modified: | 2020-05-27 | | Release date: | 2015-04-15 | | Identifier: | 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-{7-[2-(morpholin-4-yl)ethoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl}phenyl)urea |
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 | | PAR | | Name: | PAROMOMYCIN | | Formula: | C23 H45 N5 O14 | | SMILES: | O(C2C(OC1OC(CO)C(O)C(O)C1N)C(N)CC(N)C2O)C4OC(C(OC3OC(CN)C(O)C(O)C3N)C4O)CO | | InChi: | InChI=1S/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2/t5-,6+,7+,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1 | | Synonyms: | PAROMOMYCIN I | | Definition date: | 2000-08-25 | | Last modified: | 2020-05-27 | | Identifier: | (1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside |
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 | | PIF | | Name: | (2R)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate | | Formula: | C25 H48 O16 P2 | | SMILES: | O=C(OCC(OC(=O)CCCCCCC)COP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(O)C1O)CCCCCCC | | InChi: | InChI=1S/C25H48O16P2/c1-3-5-7-9-11-13-18(26)37-15-17(39-19(27)14-12-10-8-6-4-2)16-38-43(35,36)41-25-22(30)20(28)24(21(29)23(25)31)40-42(32,33)34/h17,20-25,28-31H,3-16H2,1-2H3,(H,35,36)(H2,32,33,34)/t17-,20-,21+,22-,23-,24+,25+/m1/s1 | | Synonyms: | L-ALPHA-D-MYOPHOSPHATIDYLINOSITOL 4-PHOSPHATE | | Definition date: | 2010-05-11 | | Last modified: | 2020-05-27 | | Identifier: | (2R)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate |
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 | | PSC | | Name: | (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE | | Formula: | C42 H81 N O8 P | | SMILES: | O=C(OCC(OC(=O)CCCCCCCC=C/C/C=C/CCCCC)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCCCCCCC | | InChi: | InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h14,16,20-21,40H,6-13,15,17-19,22-39H2,1-5H3/p+1/b16-14+,21-20-/t40-/m1/s1 | | Synonyms: | PHOSPHATIDYLCHOLINE | | Definition date: | 2003-12-02 | | Last modified: | 2020-05-27 | | Identifier: | (4S,7R,17Z,20E)-7-[(hexadecanoyloxy)methyl]-4-hydroxy-N,N,N-trimethyl-9-oxo-3,5,8-trioxa-4-phosphahexacosa-17,20-dien-1-aminium 4-oxide |
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 | | INL | | Name: | 6-[N-(3-METHOXY-PHENYL)-3-(MORPHOLIN-4-YLMETHYL)-2H-THIENO[3,2-E]-1,2-THIAZINE-1,1,-DIOXIDE]-SULFONAMIDE | | Formula: | C18 H21 N3 O6 S3 | | SMILES: | O=S(=O)(c1sc3c(c1)C=C(N(c2cccc(OC)c2)S3(=O)=O)CN4CCOCC4)N | | InChi: | InChI=1S/C18H21N3O6S3/c1-26-16-4-2-3-14(11-16)21-15(12-20-5-7-27-8-6-20)9-13-10-17(29(19,22)23)28-18(13)30(21,24)25/h2-4,9-11H,5-8,12H2,1H3,(H2,19,22,23) | | Synonyms: | AL-6629 | | Definition date: | 2001-03-20 | | Last modified: | 2020-05-27 | | Identifier: | 2-(3-methoxyphenyl)-3-(morpholin-4-ylmethyl)-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide |
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 | | INQ | | Name: | 6-[N-(3-HYDROXY-PHENYL)-3-(MORPHOLIN-4-YLMETHYL)-2H-THIENO[3,2-E]-1,2-THIAZINE-1,1,-DIOXIDE]-SULFONAMIDE | | Formula: | C17 H19 N3 O6 S3 | | SMILES: | O=S(=O)(c1sc3c(c1)C=C(N(c2cccc(O)c2)S3(=O)=O)CN4CCOCC4)N | | InChi: | InChI=1S/C17H19N3O6S3/c18-28(22,23)16-9-12-8-14(11-19-4-6-26-7-5-19)20(29(24,25)17(12)27-16)13-2-1-3-15(21)10-13/h1-3,8-10,21H,4-7,11H2,(H2,18,22,23) | | Synonyms: | AL-6619 | | Definition date: | 2001-03-21 | | Last modified: | 2020-05-27 | | Identifier: | 2-(3-hydroxyphenyl)-3-(morpholin-4-ylmethyl)-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide |
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 | | VJK | | Name: | (2R)-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-[2,2,2-tris(fluoranyl)ethyl]butanamide | | Formula: | C18 H19 F3 N6 O | | SMILES: | C(C(Nc1ccnc(n1)c2cnc3c2cccn3)(C)C(NCC(F)(F)F)=O)C | | InChi: | InChI=1S/C18H19F3N6O/c1-3-17(2,16(28)25-10-18(19,20)21)27-13-6-8-23-15(26-13)12-9-24-14-11(12)5-4-7-22-14/h4-9H,3,10H2,1-2H3,(H,22,24)(H,25,28)(H,23,26,27)/t17-/m1/s1 | | Synonyms: | Decernotinib | | Definition date: | 2015-03-20 | | Last modified: | 2020-05-26 | | Release date: | 2015-08-12 | | Identifier: | N~2~-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)-D-isovalinamide |
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 | | BIT | | Name: | (-)-1-PHENYL-1,2,3,4-TETRAHYDRO-4-HYDROXYPYRROLO[2,3-B]-7-METHYLQUINOLIN-4-ONE | | Formula: | C18 H16 N2 O2 | | SMILES: | O=C2c4c(N=C3N(c1ccccc1)CCC23O)ccc(c4)C | | InChi: | InChI=1S/C18H16N2O2/c1-12-7-8-15-14(11-12)16(21)18(22)9-10-20(17(18)19-15)13-5-3-2-4-6-13/h2-8,11,22H,9-10H2,1H3/t18-/m1/s1 | | Synonyms: | (S)-BLEBBISTATIN | | Definition date: | 2005-02-25 | | Last modified: | 2020-05-26 | | Identifier: | (3aS)-3a-hydroxy-6-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one |
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 | | A0D | | Name: | N-adamantan-2-yl-1-ethyl-D-prolinamide | | Formula: | C17 H28 N2 O | | SMILES: | O=C(NC3C1CC2CC(C1)CC3C2)C4N(CC)CCC4 | | InChi: | InChI=1S/C17H28N2O/c1-2-19-5-3-4-15(19)17(20)18-16-13-7-11-6-12(9-13)10-14(16)8-11/h11-16H,2-10H2,1H3,(H,18,20)/t11-,12+,13-,14+,15-,16-/m1/s1 | | Synonyms: | PF-877423 | | Definition date: | 2011-04-19 | | Last modified: | 2020-05-26 | | Identifier: | 1-ethyl-N-[(1R,3S,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-2-yl]-D-prolinamide |
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 | | 1J1 | | Name: | N~6~-[(2R)-3,4-dihydro-2H-pyrrol-2-ylcarbonyl]-L-lysine | | Formula: | C11 H19 N3 O3 | | SMILES: | O=C(NCCCCC(C(=O)O)N)C1N=CCC1 | | InChi: | InChI=1S/C11H19N3O3/c12-8(11(16)17)4-1-2-6-14-10(15)9-5-3-7-13-9/h7-9H,1-6,12H2,(H,14,15)(H,16,17)/t8-,9+/m0/s1 | | Synonyms: | pyrroline-carboxy-lysine | | Definition date: | 2013-02-11 | | Last modified: | 2020-05-26 | | Release date: | 2013-06-12 | | Identifier: | N~6~-[(2R)-3,4-dihydro-2H-pyrrol-2-ylcarbonyl]-L-lysine |
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 | | AFE | | Name: | 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside | | Formula: | C21 H20 O10 | | SMILES: | O=C2C(OC1OC(C(O)C(O)C1O)C)=C(Oc3cc(O)cc(O)c23)c4ccc(O)cc4 | | InChi: | InChI=1S/C21H20O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-18,21-25,27-28H,1H3/t8-,15-,17+,18+,21-/m0/s1 | | Synonyms: | afzelin | | Definition date: | 2012-04-19 | | Last modified: | 2020-05-26 | | Release date: | 2012-08-31 | | Identifier: | 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside |
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 | | 0JZ | | Name: | (4R,11R,18R)-4,11,18-tri(propan-2-yl)-6,13,20-triselena-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione | | Formula: | C24 H30 N6 O3 Se3 | | SMILES: | O=C3NC(c1[se]cc(n1)C(=O)NC(c4nc(C(=O)NC(c2[se]cc3n2)C(C)C)c[se]4)C(C)C)C(C)C | | InChi: | InChI=1S/C24H30N6O3Se3/c1-10(2)16-22-25-14(7-34-22)20(32)29-18(12(5)6)24-27-15(9-36-24)21(33)30-17(11(3)4)23-26-13(8-35-23)19(31)28-16/h7-12,16-18H,1-6H3,(H,28,31)(H,29,32)(H,30,33)/t16-,17-,18-/m1/s1 | | Synonyms: | cyclic-tris-(R)-valineselenazole | | Definition date: | 2009-02-06 | | Last modified: | 2020-05-26 | | Identifier: | (4R,11R,18R)-4,11,18-tri(propan-2-yl)-6,13,20-triselena-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione |
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 | | 2Y5 | | Name: | (2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate | | Formula: | C47 H84 O16 P2 | | SMILES: | O=C(OCC(OC(=O)CCCC=C/CC=C/CC=C/CC=C/CCCCC)COP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(O)C1O)CCCCCCCCCCCCCCCCC | | InChi: | InChI=1S/C47H84O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)61-39(37-59-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)46(43(51)45(47)53)62-64(54,55)56/h11,13,17,19,22,24,28,30,39,42-47,50-53H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b13-11-,19-17-,24-22-,30-28-/t39-,42-,43+,44-,45-,46+,47+/m1/s1 | | Synonyms: | Phosphatidylinositol-4-phosphate | | Definition date: | 2014-05-12 | | Last modified: | 2020-05-26 | | Release date: | 2015-07-29 | | Identifier: | (2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate |
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 | | 0XW | | Name: | (2S,4R)-4-hydroxy-1,1-dimethylpyrrolidinium-2-carboxylate | | Formula: | C7 H13 N O3 | | SMILES: | O=C([O-])C1[N+](C)(C)CC(O)C1 | | InChi: | InChI=1S/C7H13NO3/c1-8(2)4-5(9)3-6(8)7(10)11/h5-6,9H,3-4H2,1-2H3/t5-,6+/m1/s1 | | Synonyms: | Betonicine | | Definition date: | 2012-09-17 | | Last modified: | 2020-05-26 | | Release date: | 2012-10-05 | | Identifier: | (2S,4R)-4-hydroxy-1,1-dimethylpyrrolidinium-2-carboxylate |
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