 | | INR | | Name: | 2',3-DIOXO-1,1',2',3-TETRAHYDRO-2,3'-BIINDOLE-5'-SULFONIC ACID | | Formula: | C16 H10 N2 O5 S | | SMILES: | O=S(=O)(O)c1cc2c(cc1)NC(=O)C/2=C4C(=O)c3ccccc3N4 | | InChi: | InChI=1S/C16H10N2O5S/c19-15-9-3-1-2-4-11(9)17-14(15)13-10-7-8(24(21,22)23)5-6-12(10)18-16(13)20/h1-7,17H,(H,18,20)(H,21,22,23)/b14-13- | | Synonyms: | INDIRUBIN-5-SULPHONATE | | Definition date: | 2000-10-17 | | Last modified: | 2021-03-01 | | Identifier: | (2Z)-2',3-dioxo-1,1',2',3-tetrahydro-2,3'-biindole-5'-sulfonic acid |
|
 | | VPU | | Name: | [[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(pentanoylamino)oxan-2-ylidene]amino] N-phenylcarbamate | | Formula: | C18 H25 N3 O7 | | SMILES: | O=C(ON=C1/OC(CO)C(O)C(O)C1NC(=O)CCCC)Nc2ccccc2 | | InChi: | InChI=1S/C18H25N3O7/c1-2-3-9-13(23)20-14-16(25)15(24)12(10-22)27-17(14)21-28-18(26)19-11-7-5-4-6-8-11/h4-8,12,14-16,22,24-25H,2-3,9-10H2,1H3,(H,19,26)(H,20,23)/b21-17-/t12-,14-,15-,16-/m1/s1 | | Synonyms: | N-Valeryl-PUGNAc | | Definition date: | 2009-04-15 | | Last modified: | 2021-03-01 | | Identifier: | N-[(2Z,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(phenylcarbamoyl)oxy]imino}tetrahydro-2H-pyran-3-yl]pentanamide (non-preferred name) |
|
 | | SH0 | | Name: | 3,3',3'',3'''-[(1R,2S,3S,4S,7S,8S,11S,12S,13S,16S,19S)-3,8,13,17-tetrakis(carboxylatomethyl)-8,13-dimethyl-1,2,3,4,7,8,11,12,13,16,19,20,22,24-tetradecahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoate | | Formula: | C42 H52 N4 O16 | | SMILES: | O=C(O)CCC1=C(C2=NC1CC5N=C(C=C4NC(=CC3NC(=C2)C(C)(C3CCC(=O)O)CC(=O)O)C(CC(=O)O)(C)C4CCC(=O)O)C(CC(=O)O)C5CCC(=O)O)CC(=O)O | | InChi: | InChI=1S/C42H52N4O16/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29/h14-16,19,21,23-26,30,45-46H,3-13,17-18H2,1-2H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)/b29-14-,31-15-,32-16-/t19-,21-,23+,24+,25+,26-,30+,41-,42-/m0/s1 | | Synonyms: | Sirohydrochlorin | | Definition date: | 2014-07-09 | | Last modified: | 2021-03-01 | | Release date: | 2014-07-16 | | Identifier: | 3,3',3'',3'''-[(1R,2S,3S,7S,8S,11S,12S,13S,19S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-1,2,3,7,8,11,12,13,19,20-decahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoic acid |
|
 | | TOR | | Name: | [(3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl sulfamate | | Formula: | C12 H21 N O8 S | | SMILES: | O=S(=O)(OCC23OCC1OC(OC1C3OC(O2)(C)C)(C)C)N | | InChi: | InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1 | | Synonyms: | topiramate | | Definition date: | 2009-06-03 | | Last modified: | 2021-03-01 | | Identifier: | [(3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl sulfamate (non-preferred name) |
|
 | | 3VL | | Name: | methyl (1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate | | Formula: | C30 H35 N O10 | | SMILES: | O=C(OC)C5c3cc2C(=O)c1cccc(O)c1C(=O)c2c(O)c3C(OC4OC(C(O)C(N(C)C)C4)C)CC5(O)CC | | InChi: | InChI=1S/C30H35NO10/c1-6-30(38)12-19(41-20-11-17(31(3)4)25(33)13(2)40-20)22-15(24(30)29(37)39-5)10-16-23(28(22)36)27(35)21-14(26(16)34)8-7-9-18(21)32/h7-10,13,17,19-20,24-25,32-33,36,38H,6,11-12H2,1-5H3/t13-,17-,19-,20-,24-,25+,30+/m0/s1 | | Synonyms: | aclacinomycin T | | Definition date: | 2014-11-14 | | Last modified: | 2021-03-01 | | Release date: | 2015-07-29 | | Identifier: | methyl (1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate |
|
 | | 3VV | | Name: | S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (9Z)-octadec-9-enethioate (non-preferred name) | | Formula: | C39 H68 N7 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)CCCCCCCC=C/CCCCCCCC | | InChi: | InChI=1S/C39H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h11-12,26-28,32-34,38,49-50H,4-10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b12-11-/t28-,32-,33-,34+,38-/m1/s1 | | Synonyms: | oleoyl-CoA | | Definition date: | 2014-11-19 | | Last modified: | 2021-03-01 | | Release date: | 2015-02-18 | | Identifier: | S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (9Z)-octadec-9-enethioate (non-preferred name) |
|
 | | Z0M | | Name: | N-[(5R,6R,7R,8S)-6,7-DIHYDROXY-5-(HYDROXYMETHYL)-2-(2-PHENYLETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDIN-8-YL]-3-SULFANYLPROPANAMIDE | | Formula: | C19 H25 N3 O4 S | | SMILES: | O=C(NC2c1nc(cn1C(C(O)C2O)CO)CCc3ccccc3)CCS | | InChi: | InChI=1S/C19H25N3O4S/c23-11-14-17(25)18(26)16(21-15(24)8-9-27)19-20-13(10-22(14)19)7-6-12-4-2-1-3-5-12/h1-5,10,14,16-18,23,25-27H,6-9,11H2,(H,21,24)/t14-,16-,17-,18-/m1/s1 | | Synonyms: | GLCNACSTATIN F | | Definition date: | 2010-08-26 | | Last modified: | 2021-03-01 | | Identifier: | N-[(5R,6R,7R,8S)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-3-sulfanylpropanamide |
|
 | | TCI | | Name: | (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol | | Formula: | C21 H30 O2 | | SMILES: | CCCCCc1cc(O)c2[CH]3C=C(C)CC[CH]3C(C)(C)Oc2c1 | | InChi: | InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1 | | Synonyms: | Tetrahydrocannabinol | | Definition date: | 2010-02-23 | | Last modified: | 2021-03-01 | | Identifier: | (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]isochromen-1-ol |
|
 | | SKA | | Name: | 7,8-DICHLORO-1,2,3,4-TETRAHYDROISOQUINOLINE | | Formula: | C9 H9 Cl2 N | | SMILES: | Clc1c(Cl)ccc2c1CNCC2 | | InChi: | InChI=1S/C9H9Cl2N/c10-8-2-1-6-3-4-12-5-7(6)9(8)11/h1-2,12H,3-5H2 | | Synonyms: | SK&F 64139 | | Definition date: | 2005-03-02 | | Last modified: | 2021-03-01 | | Identifier: | 7,8-dichloro-1,2,3,4-tetrahydroisoquinoline |
|
 | | TS2 | | Name: | 2-AMINO-4-[4-(4-AMINO-4-CARBOXY-BUTYRYLAMINO)-5,8,19,22-TETRAOXO-1,2-DITHIA-6,9,13,18,21-PENTAAZA-CYCLOTETRACOS-23-YLCARBAMOYL]-BUTYRIC ACID | | Formula: | C27 H47 N9 O10 S2 | | SMILES: | O=C(O)C(N)CCC(=O)NC1C(=O)NCC(=O)NCCCCNCCCNC(=O)CNC(=O)C(NC(=O)CCC(C(=O)O)N)CSSC1 | | InChi: | InChI=1S/C27H47N9O10S2/c28-16(26(43)44)4-6-20(37)35-18-14-47-48-15-19(36-21(38)7-5-17(29)27(45)46)25(42)34-13-23(40)32-11-3-9-30-8-1-2-10-31-22(39)12-33-24(18)41/h16-19,30H,1-15,28-29H2,(H,31,39)(H,32,40)(H,33,41)(H,34,42)(H,35,37)(H,36,38)(H,43,44)(H,45,46)/t16-,17-,18-,19-/m0/s1 | | Synonyms: | RING WITH GLUTATHIONE AND SPERMIDINE | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | (2S,2'S)-5,5'-{[(4R,23R)-5,8,19,22-tetraoxo-1,2-dithia-6,9,13,18,21-pentaazacyclotetracosane-4,23-diyl]diimino}bis(2-amino-5-oxopentanoic acid) (non-preferred name) |
|
 | | TDZ | | Name: | (5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-2,4-DIONE | | Formula: | C24 H27 N O5 S | | SMILES: | O=C1NC(=O)SC1Cc4ccc(OCC3(Oc2c(c(c(O)c(c2CC3)C)C)C)C)cc4 | | InChi: | InChI=1S/C24H27NO5S/c1-13-14(2)21-18(15(3)20(13)26)9-10-24(4,30-21)12-29-17-7-5-16(6-8-17)11-19-22(27)25-23(28)31-19/h5-8,19,26H,9-12H2,1-4H3,(H,25,27,28)/t19-,24-/m1/s1 | | Synonyms: | TROGLITAZONE | | Definition date: | 2007-07-20 | | Last modified: | 2021-03-01 | | Identifier: | (5R)-5-(4-{[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-2-yl]methoxy}benzyl)-1,3-thiazolidine-2,4-dione |
|
 | | TE4 | | Name: | Tetracaine | | Formula: | C15 H24 N2 O2 | | SMILES: | O=C(OCCN(C)C)c1ccc(NCCCC)cc1 | | InChi: | InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3 | | Synonyms: | 2-(dimethylamino)ethyl 4-(butylamino)benzoate | | Definition date: | 2014-02-11 | | Last modified: | 2021-03-01 | | Release date: | 2014-11-19 | | Identifier: | 2-(dimethylamino)ethyl 4-(butylamino)benzoate |
|
 | | TSX | | Name: | N-[4-(1-ALLYL-3-BUTYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YLMETHYL)-PHENYL]-ACETAMIDE | | Formula: | C21 H25 N5 O3 | | SMILES: | O=C(Nc1ccc(cc1)Cc3nc2N(C(=O)N(C(=O)c2n3)CC=C)CCCC)C | | InChi: | InChI=1S/C21H25N5O3/c1-4-6-12-25-19-18(20(28)26(11-5-2)21(25)29)23-17(24-19)13-15-7-9-16(10-8-15)22-14(3)27/h5,7-10H,2,4,6,11-13H2,1,3H3,(H,22,27)(H,23,24) | | Synonyms: | 1-ALLYL-3-BUTYL-8-(N-ACETYL-4-AMINOBENZYL)-XANTHINE | | Definition date: | 2002-07-09 | | Last modified: | 2021-03-01 | | Identifier: | N-{4-[(3-butyl-2,6-dioxo-1-prop-2-en-1-yl-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl]phenyl}acetamide |
|
 | | SLN | | Name: | 1-(4-AZIDO-2-NITROPHENYL)AMINO-3-(1-OXYL-2,2,5,5-TETRAMETHYLPYRROLIDINYL-3-CARBAMIDO)-2-PROPYLDISPHOSPHATE | | Formula: | C18 H29 N7 O11 P2 | | SMILES: | [O-][N+](=O)c1cc(/N=[N+]=[N-])ccc1NCC(OP(=O)(O)OP(=O)(O)O)CNC(=O)C2C(N(O)C(C)(C)C2)(C)C | | InChi: | InChI=1S/C18H29N7O11P2/c1-17(2)8-13(18(3,4)25(17)29)16(26)21-10-12(35-38(33,34)36-37(30,31)32)9-20-14-6-5-11(22-23-19)7-15(14)24(27)28/h5-7,12-13,20,29H,8-10H2,1-4H3,(H,21,26)(H,33,34)(H2,30,31,32)/t12-,13-/m0/s1 | | Synonyms: | (SL-NANDP) | | Definition date: | 2003-04-22 | | Last modified: | 2021-03-01 | | Identifier: | (1S)-2-[(4-azido-2-nitrophenyl)amino]-1-[({[(3R)-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl]carbonyl}amino)methyl]ethyl trihydrogen diphosphate |
|
 | | TEF | | Name: | 4-(2H-tetrazol-2-yl)-L-phenylalanine | | Formula: | C10 H11 N5 O2 | | SMILES: | O=C(O)C(N)Cc1ccc(cc1)n2ncnn2 | | InChi: | InChI=1S/C10H11N5O2/c11-9(10(16)17)5-7-1-3-8(4-2-7)15-13-6-12-14-15/h1-4,6,9H,5,11H2,(H,16,17)/t9-/m0/s1 | | Synonyms: | p-(2-tetrazolyl)-phenylalanine | | Definition date: | 2010-06-03 | | Last modified: | 2021-03-01 | | Identifier: | 4-(2H-tetrazol-2-yl)-L-phenylalanine |
|
 | | ULI | | Name: | tetracontane | | Formula: | C40 H82 | | SMILES: | C(CCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC | | InChi: | InChI=1S/C40H82/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3 | | Synonyms: | n-Tetracontane | | Definition date: | 2011-08-18 | | Last modified: | 2021-03-01 | | Identifier: | tetracontane |
|
 | | ITQ | | Name: | 1,2,3,4-Tetrahydrogen Staurosporine | | Formula: | C28 H28 N4 O3 | | SMILES: | O=C4N=Cc3c2c1ccccc1n7c2c5n(c6c(c5c34)CCCC6)C8OC7(C)C(OC)C(NC)C8 | | InChi: | InChI=1S/C28H28N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h5,7,9,11,13,17,20,26,29H,4,6,8,10,12H2,1-3H3/t17-,20-,26-,28+/m1/s1 | | Synonyms: | Staurosporine Analogue - AFN941 | | Definition date: | 2013-03-14 | | Last modified: | 2021-03-01 | | Release date: | 2013-03-27 | | Identifier: | (5S,6R,7R,9R)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,10,11,12,13-octahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one |
|
 | | SNI | | Name: | 9-(3,4-DIHYDROXY-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-2-YL)-1,9-DIHYDRO-PURINE-6-THIONE | | Formula: | C10 H12 N4 O4 Se | | SMILES: | [Se]=C1c2ncn(c2N=CN1)C3OC(C(O)C3O)CO | | InChi: | InChI=1S/C10H12N4O4Se/c15-1-4-6(16)7(17)10(18-4)14-3-13-5-8(14)11-2-12-9(5)19/h2-4,6-7,10,15-17H,1H2,(H,11,12,19)/t4-,6-,7-,10-/m1/s1 | | Synonyms: | SELENOINOSINE | | Definition date: | 2004-02-25 | | Last modified: | 2021-03-01 | | Identifier: | 9-beta-D-ribofuranosyl-1,9-dihydro-6H-purine-6-selone |
|
 | | TUX | | Name: | 1,5-ANHYDRO-2-C-(CARBOXYMETHYL-N-HYDROXYAMIDE)-2-DEOXY-3-O-MYRISTOYL-D-GLUCITOL | | Formula: | C22 H41 N O7 | | SMILES: | O=C(NO)CC1C(OC(=O)CCCCCCCCCCCCC)C(O)C(OC1)CO | | InChi: | InChI=1S/C22H41NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(26)30-22-17(14-19(25)23-28)16-29-18(15-24)21(22)27/h17-18,21-22,24,27-28H,2-16H2,1H3,(H,23,25)/t17-,18+,21+,22+/m0/s1 | | Synonyms: | TU-514 | | Definition date: | 2003-03-18 | | Last modified: | 2021-03-01 | | Identifier: | 1,5-anhydro-2-deoxy-2-[2-(hydroxyamino)-2-oxoethyl]-3-O-tetradecanoyl-D-glucitol |
|
 | | V2H | | Name: | (1S,3R,5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraene-1,3-diol | | Formula: | C28 H44 O2 | | SMILES: | OC3C(=C)/C(=CC=C1/CCCC2(C)C(C(/C=C/C(C)C(C)C)C)CCC12)CC(O)C3 | | InChi: | InChI=1S/C28H44O2/c1-18(2)19(3)9-10-20(4)25-13-14-26-22(8-7-15-28(25,26)6)11-12-23-16-24(29)17-27(30)21(23)5/h9-12,18-20,24-27,29-30H,5,7-8,13-17H2,1-4,6H3/b10-9+,22-11+,23-12-/t19-,20+,24+,25+,26-,27-,28+/m0/s1 | | Synonyms: | 1-alpha-hydroxy-vitamin D2 | | Definition date: | 2008-07-02 | | Last modified: | 2021-03-01 | | Identifier: | (1S,3R,5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraene-1,3-diol |
|
 | | XT1 | | Name: | (2R)-3-[(2S,5R,6R,8S)-8-{(1R,2E)-3-[(2R,4a'R,5R,6'S,8'R,8a'S)-6'-{(1S,3S)-3-[(2S,3R,6R,11R)-3,11-dimethyl-1,7-dioxaspiro[5.5]undec-2-yl]-1-hydroxybutyl}-8'-hydroxy-7'-methylideneoctahydro-3H,3'H-spiro[furan-2,2'-pyrano[3,2-b]pyran]-5-yl]-1-methylprop-2-en-1-yl}-5-hydroxy-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-hydroxy-2-methylpropanoic acid | | Formula: | C45 H70 O13 | | SMILES: | O=C(O)C(O)(C)CC7OC1(OC(CC(=C1)C)C(/C=C/C6OC2(OC3C(O)C(=C)C(OC3CC2)C(O)CC(C)C5OC4(OCCCC4C)CCC5C)CC6)C)C(O)CC7 | | InChi: | InChI=1S/C45H70O13/c1-25-21-35(56-45(23-25)36(47)13-12-32(55-45)24-42(7,51)41(49)50)26(2)10-11-31-15-17-43(54-31)18-16-34-40(57-43)37(48)30(6)39(53-34)33(46)22-28(4)38-27(3)14-19-44(58-38)29(5)9-8-20-52-44/h10-11,23,26-29,31-40,46-48,51H,6,8-9,12-22,24H2,1-5,7H3,(H,49,50)/b11-10+/t26-,27-,28+,29-,31+,32+,33+,34-,35+,36-,37-,38+,39+,40-,42-,43-,44-,45-/m1/s1 | | Synonyms: | DINOPHYSISTOXIN-1 | | Definition date: | 2009-10-22 | | Last modified: | 2021-03-01 | | Identifier: | (2R)-3-[(2S,5R,6R,8S)-8-{(2R,3E)-4-[(2R,4a'R,5R,6'S,8'R,8a'S)-6'-{(1S,3S)-3-[(2S,3R,6R,11R)-3,11-dimethyl-1,7-dioxaspiro[5.5]undec-2-yl]-1-hydroxybutyl}-8'-hydroxy-7'-methylideneoctahydro-3H,3'H-spiro[furan-2,2'-pyrano[3,2-b]pyran]-5-yl]but-3-en-2-yl}-5-hydroxy-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-hydroxy-2-methylpropanoic acid |
|
 | | XTC | | Name: | (4S,4aS,5aR,12aS)-4-(dimethylamino)-3,10,12,12a-tetrahydroxy-9-nitro-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide | | Formula: | C21 H21 N3 O9 | | SMILES: | [O-][N+](=O)c2c(O)c3C(=O)C1=C(O)C4(O)C(=O)C(=C(O)C(N(C)C)C4CC1Cc3cc2)C(=O)N | | InChi: | InChI=1S/C21H21N3O9/c1-23(2)14-9-6-8-5-7-3-4-10(24(32)33)15(25)11(7)16(26)12(8)18(28)21(9,31)19(29)13(17(14)27)20(22)30/h3-4,8-9,14,25,27-28,31H,5-6H2,1-2H3,(H2,22,30)/t8-,9-,14-,21-/m0/s1 | | Synonyms: | 9-NITROTETRACYCLINE | | Definition date: | 2012-05-22 | | Last modified: | 2021-03-01 | | Identifier: | (4S,4aS,5aR,12aS)-4-(dimethylamino)-3,10,12,12a-tetrahydroxy-9-nitro-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide |
|
 | | UCA | | Name: | S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 3-[(3aS,4S,7aS)-7a-methyl-1,5-bis(oxidanylidene)-2,3,3a,4,6,7-hexahydroinden-4-yl]propanethioate | | Formula: | C34 H52 N7 O19 P3 S | | SMILES: | O=C1CCC2C1(C)CCC(=O)C2CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC5OC(n4cnc3c(ncnc34)N)C(O)C5OP(=O)(O)O | | InChi: | InChI=1S/C34H52N7O19P3S/c1-33(2,28(47)31(48)37-11-9-23(44)36-12-13-64-24(45)7-4-18-19-5-6-22(43)34(19,3)10-8-20(18)42)15-57-63(54,55)60-62(52,53)56-14-21-27(59-61(49,50)51)26(46)32(58-21)41-17-40-25-29(35)38-16-39-30(25)41/h16-19,21,26-28,32,46-47H,4-15H2,1-3H3,(H,36,44)(H,37,48)(H,52,53)(H,54,55)(H2,35,38,39)(H2,49,50,51)/t18-,19-,21+,26+,27+,28-,32+,34-/m0/s1 | | Synonyms: | HIP-CoA | | Definition date: | 2014-08-27 | | Last modified: | 2021-03-01 | | Release date: | 2014-11-26 | | Identifier: | S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} 3-[(3aS,4S,7aS)-7a-methyl-1,5-dioxooctahydro-1H-inden-4-yl]propanethioate (non-preferred name) |
|
 | | UCC | | Name: | S-{(3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} undecanethioate | | Formula: | C32 H56 N7 O17 P3 S | | SMILES: | O=C(CCCCCCCCCC)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(O)(OCC1OC(C(C1OP(O)(O)=O)O)n2cnc3c2ncnc3N)=O)O | | InChi: | InChI=1S/C32H56N7O17P3S/c1-4-5-6-7-8-9-10-11-12-23(41)60-16-15-34-22(40)13-14-35-30(44)27(43)32(2,3)18-53-59(50,51)56-58(48,49)52-17-21-26(55-57(45,46)47)25(42)31(54-21)39-20-38-24-28(33)36-19-37-29(24)39/h19-21,25-27,31,42-43H,4-18H2,1-3H3,(H,34,40)(H,35,44)(H,48,49)(H,50,51)(H2,33,36,37)(H2,45,46,47)/t21-,25-,26-,27+,31-/m1/s1 | | Synonyms: | undecanoyl coenzyme A | | Definition date: | 2015-03-06 | | Last modified: | 2021-03-01 | | Release date: | 2015-06-03 | | Identifier: | S-{(3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} undecanethioate (non-preferred name) |
|
 | | UCM | | Name: | REL-(9R,12S)-9,10,11,12-TETRAHYDRO-9,12-EPOXY-1H-DIINDOLO[1,2,3-FG:3',2',1'-KL]PYRROLO[3,4-I][1,6]BENZODIAZOCINE-1,3(2H)-DIONE | | Formula: | C24 H15 N3 O3 | | SMILES: | O=C5c4c2c3n(c1ccccc12)C8OC(n6c3c(c4C(=O)N5)c7ccccc67)CC8 | | InChi: | InChI=1S/C24H15N3O3/c28-23-19-17-11-5-1-3-7-13(11)26-15-9-10-16(30-15)27-14-8-4-2-6-12(14)18(22(27)21(17)26)20(19)24(29)25-23/h1-8,15-16H,9-10H2,(H,25,28,29)/t15-,16+ | | Synonyms: | SB218078 | | Definition date: | 2003-02-13 | | Last modified: | 2021-03-01 | | Identifier: | (5R,8S)-5,6,7,8-tetrahydro-13H-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-jkl]cyclopenta[e]-as-indacene-13,15(14H)-dione |
|
