 | | RAZ | | Name: | (1R)-N,4-DIMETHYL-N-(4-METHYLPENT-3-ENYL)CYCLOHEX-3-ENAMINIUM | | Formula: | C14 H26 N | | SMILES: | C1=C(C)CCC([NH+](C)CCC=C(/C)C)C1 | | InChi: | InChI=1S/C14H25N/c1-12(2)6-5-11-15(4)14-9-7-13(3)8-10-14/h6-7,14H,5,8-11H2,1-4H3/p+1/t14-/m1/s1 | | Synonyms: | (4R)-7-AZABISABOLENE | | Definition date: | 2005-03-04 | | Last modified: | 2020-06-17 | | Identifier: | (1S)-N,4-dimethyl-N-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-aminium |
|
 | | PPD | | Name: | 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYLENE)-AMINO]-SUCCINIC ACID | | Formula: | C12 H17 N2 O9 P | | SMILES: | O=C(O)CC(C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O | | InChi: | InChI=1S/C12H17N2O9P/c1-6-11(17)8(4-14-9(12(18)19)2-10(15)16)7(3-13-6)5-23-24(20,21)22/h3,9,14,17H,2,4-5H2,1H3,(H,15,16)(H,18,19)(H2,20,21,22)/t9-/m0/s1 | | Synonyms: | PYRIDOXYL-ASPARTIC ACID-5-MONOPHOSPHATE | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-aspartic acid |
|
 | | PPE | | Name: | 4-[(1,3-DICARBOXY-PROPYLAMINO)-METHYL]-3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDINIUM | | Formula: | C13 H20 N2 O9 P | | SMILES: | O=C(O)C(NCc1c(c[nH+]c(c1O)C)COP(=O)(O)O)CCC(=O)O | | InChi: | InChI=1S/C13H19N2O9P/c1-7-12(18)9(8(4-14-7)6-24-25(21,22)23)5-15-10(13(19)20)2-3-11(16)17/h4,10,15,18H,2-3,5-6H2,1H3,(H,16,17)(H,19,20)(H2,21,22,23)/p+1/t10-/m0/s1 | | Synonyms: | PYRIDOXYL-GLUTAMIC ACID-5'-MONOPHOSPHATE | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridinium-4-yl}methyl)-L-glutamic acid |
|
 | | RPL | | Name: | (C8-S)-HYDANTOCIDIN 5'-PHOSPHATE | | Formula: | C13 H22 N3 O13 P | | SMILES: | O=C(O)C(N(O)CO)CCCN2C(=O)C1(OC(C(O)C1O)COP(=O)(O)O)NC2=O | | InChi: | InChI=1S/C13H22N3O13P/c17-5-16(24)6(10(20)21)2-1-3-15-11(22)13(14-12(15)23)9(19)8(18)7(29-13)4-28-30(25,26)27/h6-9,17-19,24H,1-5H2,(H,14,23)(H,20,21)(H2,25,26,27)/t6-,7+,8+,9+,13-/m0/s1 | | Synonyms: | [8,9-DIHYDROXY-3-(4-CARBOXY-HYDROXY-HYDROXYMETHYL-AMINO-BUTYL)-2,4-DIOXO-6-OXA-1,3-DIAZA-SPIRO[4.4]NON-7-YLMETHYL]
PHOSPHATE | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 5-{(5S,7R,8S,9R)-8,9-dihydroxy-2,4-dioxo-7-[(phosphonooxy)methyl]-6-oxa-1,3-diazaspiro[4.4]non-3-yl}-N-hydroxy-N-(hydroxymethyl)-L-norvaline |
|
 | | RB3 | | Name: | (1R)-3-{[(1R)-3-METHOXY-1-METHYL-3-OXOPROPYL]OXY}-1-METHYL-3-OXOPROPYL (3R)-3-HYDROXYBUTANOATE | | Formula: | C13 H22 O7 | | SMILES: | O=C(OC(C)CC(=O)OC(CC(=O)OC)C)CC(O)C | | InChi: | InChI=1S/C13H22O7/c1-8(14)5-12(16)19-10(3)7-13(17)20-9(2)6-11(15)18-4/h8-10,14H,5-7H2,1-4H3/t8-,9-,10-/m1/s1 | | Synonyms: | METHYL (3R)-3-{[(3R)-3-{[(3R)-3-HYDROXYBUTANOYL]OXY}BUTANOYL]OXY}BUTANOATE | | Definition date: | 2005-12-27 | | Last modified: | 2020-06-17 | | Identifier: | (1R)-3-{[(1R)-3-methoxy-1-methyl-3-oxopropyl]oxy}-1-methyl-3-oxopropyl (3R)-3-hydroxybutanoate |
|
 | | TRD | | Name: | TRIDECANE | | Formula: | C13 H28 | | SMILES: | C(CCCCCCCC)CCCC | | InChi: | InChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3 | | Synonyms: | LIPID FRAGMENT | | Definition date: | 1999-09-17 | | Last modified: | 2020-06-17 | | Identifier: | tridecane |
|
 | | DI0 | | Name: | Dirithromycin | | Formula: | C42 H78 N2 O14 | | SMILES: | COC1(C)CC(OC(C1O)C)OC3C(C)C(=O)OC(CC)C(C)(O)C2C(C)C(NC(O2)COCCOC)C(CC(C(C3C)OC4C(C(CC(O4)C)N(C)C)O)(C)O)C | | InChi: | InChI=1S/C42H78N2O14/c1-15-29-42(10,49)37-24(4)32(43-30(56-37)21-52-17-16-50-13)22(2)19-40(8,48)36(58-39-33(45)28(44(11)12)18-23(3)53-39)25(5)34(26(6)38(47)55-29)57-31-20-41(9,51-14)35(46)27(7)54-31/h22-37,39,43,45-46,48-49H,15-21H2,1-14H3/t22-,23-,24+,25+,26-,27+,28+,29-,30-,31+,32+,33-,34+,35+,36-,37-,39+,40-,41-,42-/m1/s1 | | Synonyms: | (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,15R,17S)-3-ethyl-2,10-dihydroxy-15-[(2-methoxyethoxy)methyl]-2,6,8,10,12,17-hexamethy
l-5-oxo-9-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}-4,16-dioxa-14-azabicyclo[11.3.1]heptadecan-7
-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranoside | | Definition date: | 2019-03-29 | | Last modified: | 2020-06-17 | | Release date: | 2019-04-17 | | Identifier: | (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,15R,17S)-3-ethyl-2,10-dihydroxy-15-[(2-methoxyethoxy)methyl]-2,6,8,10,12,17-hexamethyl-5-oxo-9-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}-4,16-dioxa-14-azabicyclo[11.3.1]heptadecan-7-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranoside |
|
 | | PB4 | | Name: | N,N'-BIS(4-FLUORO-3-METHYLBENZYL)PYRIMIDINE-4,6-DICARBOXAMIDE | | Formula: | C22 H20 F2 N4 O2 | | SMILES: | O=C(c2ncnc(C(=O)NCc1ccc(F)c(c1)C)c2)NCc3ccc(F)c(c3)C | | InChi: | InChI=1S/C22H20F2N4O2/c1-13-7-15(3-5-17(13)23)10-25-21(29)19-9-20(28-12-27-19)22(30)26-11-16-4-6-18(24)14(2)8-16/h3-9,12H,10-11H2,1-2H3,(H,25,29)(H,26,30) | | Synonyms: | PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-(4-FLUORO-3-METHYL-BENZYLAMIDE) | | Definition date: | 2004-10-28 | | Last modified: | 2020-06-17 | | Identifier: | N,N'-bis(4-fluoro-3-methylbenzyl)pyrimidine-4,6-dicarboxamide |
|
 | | RPT | | Name: | RIFAPENTINE | | Formula: | C47 H64 N4 O12 | | SMILES: | O=C5c6c3c(O)c(C=NN2CCN(C1CCCC1)CC2)c4c(O)c3c(O)c(c6OC5(OC=CC(OC)C(C(OC(=O)C)C(C)C(O)C(C)C(O)C(C=CC=C(C(=O)N4)C)C)C)C)C | | InChi: | InChI=1S/C47H64N4O12/c1-24-13-12-14-25(2)46(59)49-37-32(23-48-51-20-18-50(19-21-51)31-15-10-11-16-31)41(56)34-35(42(37)57)40(55)29(6)44-36(34)45(58)47(8,63-44)61-22-17-33(60-9)26(3)43(62-30(7)52)28(5)39(54)27(4)38(24)53/h12-14,17,22-24,26-28,31,33,38-39,43,53-57H,10-11,15-16,18-21H2,1-9H3,(H,49,59)/b13-12+,22-17+,25-14-,48-23+/t24-,26+,27+,28+,33-,38-,39+,43+,47-/m0/s1 | | Synonyms: | (2R,16S,17R,18R,19R,20S,21S,22S,23S)-8-{[(4-CYCLOPENTYLPIPERAZIN-1-YL)IMINO]METHYL}-5,6,9,17,19-PENTAHYDROXY-23-METHOXY
-2,4,12,16,18,20,22-HEPTAMETHYL-1,11-DIOXO-1,2-DIHYDRO-2,7-(EPOXYPENTADECA[1,11,13]TRIENOIMINO)NAPHTHO[2,1-B]FURAN-21-YL ACETATE | | Definition date: | 2005-07-27 | | Last modified: | 2020-06-17 | | Identifier: | (2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-8-{(E)-[(4-cyclopentylpiperazin-1-yl)imino]methyl}-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate |
|
 | | PPQ | | Name: | PHOSPHINOTHRICIN | | Formula: | C5 H12 N O4 P | | SMILES: | O=P(O)(C)CCC(C(=O)O)N | | InChi: | InChI=1S/C5H12NO4P/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10)/t4-/m0/s1 | | Synonyms: | 2-AMINO-4-(HYDROXYMETHYL-PHOSPHINYL)BUTANOIC ACID | | Definition date: | 2000-09-27 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-2-amino-4-[(R)-hydroxy(methyl)phosphoryl]butanoic acid |
|
 | | RBE | | Name: | 3-(BENZOYLOXY)-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID | | Formula: | C15 H17 N O4 | | SMILES: | [O-]C(=O)C3C1[NH2+]C(CC1)CC3OC(=O)c2ccccc2 | | InChi: | InChI=1S/C15H17NO4/c17-14(18)13-11-7-6-10(16-11)8-12(13)20-15(19)9-4-2-1-3-5-9/h1-5,10-13,16H,6-8H2,(H,17,18)/t10-,11+,12-,13+/m0/s1 | | Synonyms: | NOR-BENZOYLECGONINE | | Definition date: | 2003-11-20 | | Last modified: | 2020-06-17 | | Identifier: | (1R,2R,3S,5S)-3-[(phenylcarbonyl)oxy]-8-azoniabicyclo[3.2.1]octane-2-carboxylate |
|
 | | RPX | | Name: | C16-ETHOXY-RAPAMYCIN,IMMUNOSUPPRESSANT DRUG | | Formula: | C52 H77 N O13 | | SMILES: | O=C2C(C)CC(C=CC=CC=C(C)C(OCC)CC4OC(O)(C(=O)C(=O)N3C(C(=O)OC(C(C)Cc1ccc(O)c(OC)c1)CC(=O)C(C)CC(C)C(O)C2OC)CCCC3)C(CC4)C)C | | InChi: | InChI=1S/C52H77NO13/c1-11-64-43-29-39-22-20-37(8)52(61,66-39)49(58)50(59)53-24-16-15-19-40(53)51(60)65-44(34(5)27-38-21-23-41(54)45(28-38)62-9)30-42(55)33(4)26-36(7)47(57)48(63-10)46(56)35(6)25-31(2)17-13-12-14-18-32(43)3/h12-14,17-18,21,23,28,31,33-37,39-40,43-44,47-48,54,57,61H,11,15-16,19-20,22,24-27,29-30H2,1-10H3/b14-12+,17-13+,32-18+/t31-,33-,34-,35-,36+,37-,39+,40+,43+,44+,47-,48+,52-/m1/s1 | | Synonyms: | RAPX | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | (3S,6R,8S,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-21-ethoxy-9,27-dihydroxy-3-[(1R)-2-(4-hydroxy-3-methoxyphenyl)-1-methylethyl]-10-methoxy-6,8,12,14,20,26-hexamethyl-7,8,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,5,11,28,29(4H,6H,31H)-pentone |
|
 | | RBF | | Name: | RIBOFLAVIN | | Formula: | C17 H20 N4 O6 | | SMILES: | N=2C(=O)NC(=O)C3=Nc1cc(C)c(C)cc1N(C=23)CC(O)C(O)C(O)CO | | InChi: | InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1 | | Synonyms: | RIBOFLAVINE | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-D-ribitol |
|
 | | DIA | | Name: | OCTANE 1,8-DIAMINE | | Formula: | C8 H20 N2 | | SMILES: | NCCCCCCCCN | | InChi: | InChI=1S/C8H20N2/c9-7-5-3-1-2-4-6-8-10/h1-10H2 | | Synonyms: | 1,8-DIAMINOOCTANE | | Definition date: | 2001-01-25 | | Last modified: | 2020-06-17 | | Identifier: | octane-1,8-diamine |
|
 | | YYG | | Name: | 4-(3-[5-O-PHOSPHONORIBOFURANOSYL]-4,6-DIMETHYL-8-OXO-4,8-DIHYDRO-3H-1,3,4,5,7A-PENTAAZA-S-INDACEN-YLAMINO-BUTYRIC ACID
METHYL ESTER | | Formula: | C21 H29 N6 O12 P | | SMILES: | O=C(OC)C(NC(=O)OC)CCc3c(nc4N(c1c(ncn1C2OC(C(O)C2O)COP(=O)(O)O)C(=O)n34)C)C | | InChi: | InChI=1S/C21H29N6O12P/c1-9-11(6-5-10(19(31)36-3)24-21(32)37-4)27-17(30)13-16(25(2)20(27)23-9)26(8-22-13)18-15(29)14(28)12(39-18)7-38-40(33,34)35/h8,10,12,14-15,18,28-29H,5-7H2,1-4H3,(H,24,32)(H2,33,34,35)/t10-,12+,14+,15+,18+/m0/s1 | | Synonyms: | MODIFIED GUANOSINE-5'-PHOSPHATE | | Definition date: | 1999-10-04 | | Last modified: | 2020-06-17 | | Identifier: | 7-{(3S)-4-methoxy-3-[(methoxycarbonyl)amino]-4-oxobutyl}-4,6-dimethyl-3-(5-O-phosphono-beta-D-ribofuranosyl)-3,4-dihydro-9H-imidazo[1,2-a]purin-9-one |
|
 | | PBG | | Name: | 3-[5-(AMINOMETHYL)-4-(CARBOXYMETHYL)-1H-PYRROL-3-YL]PROPANOIC ACID | | Formula: | C10 H14 N2 O4 | | SMILES: | O=C(O)CCc1c(c(nc1)CN)CC(=O)O | | InChi: | InChI=1S/C10H14N2O4/c11-4-8-7(3-10(15)16)6(5-12-8)1-2-9(13)14/h5,12H,1-4,11H2,(H,13,14)(H,15,16) | | Synonyms: | 2-AMINOMETHYLPYRROL-3-ACETIC ACID 4-PROPIONIC ACID | | Definition date: | 2000-07-14 | | Last modified: | 2020-06-17 | | Identifier: | 3-[5-(aminomethyl)-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid |
|
 | | TRS | | Name: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL | | Formula: | C4 H12 N O3 | | SMILES: | OCC([NH3+])(CO)CO | | InChi: | InChI=1S/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2/p+1 | | Synonyms: | TRIS BUFFER | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 1,3-dihydroxy-2-(hydroxymethyl)propan-2-aminium |
|
 | | TRT | | Name: | FRAGMENT OF TRITON X-100 | | Formula: | C21 H36 O4 | | SMILES: | O(c1ccc(cc1)C(C)(C)CC(C)(C)C)CCOCCOCCOC | | InChi: | InChI=1S/C21H36O4/c1-20(2,3)17-21(4,5)18-7-9-19(10-8-18)25-16-15-24-14-13-23-12-11-22-6/h7-10H,11-17H2,1-6H3 | | Synonyms: | 1-{2-[2-(2-METHOXYETHOXY)ETHOXY]ETHOXY}-4-(1,1,3,3-TETRAMETHYLBUTYL)BENZENE | | Definition date: | 2003-06-27 | | Last modified: | 2020-06-17 | | Identifier: | 1-{2-[2-(2-methoxyethoxy)ethoxy]ethoxy}-4-(1,1,3,3-tetramethylbutyl)benzene |
|
 | | S51 | | Name: | 2-benzyl-1-phenyl-3-(piperazin-1-ylcarbonyl)-1H-indole | | Formula: | C26 H25 N3 O | | SMILES: | O=C(c3c1ccccc1n(c2ccccc2)c3Cc4ccccc4)N5CCNCC5 | | InChi: | InChI=1S/C26H25N3O/c30-26(28-17-15-27-16-18-28)25-22-13-7-8-14-23(22)29(21-11-5-2-6-12-21)24(25)19-20-9-3-1-4-10-20/h1-14,27H,15-19H2 | | Synonyms: | (2-Benzyl-1-phenyl-1H-indol-3-yl)-piperazin-1-yl-methanone | | Definition date: | 2010-09-03 | | Last modified: | 2020-06-17 | | Identifier: | (2-benzyl-1-phenyl-1H-indol-3-yl)(piperazin-1-yl)methanone |
|
 | | DIF | | Name: | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | | Formula: | C14 H11 Cl2 N O2 | | SMILES: | Clc2cccc(Cl)c2Nc1ccccc1CC(=O)O | | InChi: | InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19) | | Synonyms: | DICLOFENAC | | Definition date: | 2000-01-28 | | Last modified: | 2020-06-17 | | Identifier: | {2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid |
|
 | | S52 | | Name: | 2-phenoxy-1-phenyl-3-(piperazin-1-ylcarbonyl)-1H-indole | | Formula: | C25 H23 N3 O2 | | SMILES: | O=C(c4c1ccccc1n(c2ccccc2)c4Oc3ccccc3)N5CCNCC5 | | InChi: | InChI=1S/C25H23N3O2/c29-24(27-17-15-26-16-18-27)23-21-13-7-8-14-22(21)28(19-9-3-1-4-10-19)25(23)30-20-11-5-2-6-12-20/h1-14,26H,15-18H2 | | Synonyms: | (2-Phenoxy-1-phenyl-1H-indol-3-yl)-piperazin-1-yl-methanone | | Definition date: | 2010-09-10 | | Last modified: | 2020-06-17 | | Identifier: | (2-phenoxy-1-phenyl-1H-indol-3-yl)(piperazin-1-yl)methanone |
|
 | | PQ0 | | Name: | 2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDINE-5-CARBONITRILE | | Formula: | C7 H5 N5 O | | SMILES: | N#Cc1cnc2N=C(NC(=O)c12)N | | InChi: | InChI=1S/C7H5N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,(H4,9,10,11,12,13) | | Synonyms: | 7-DEAZA-7-CYANO-GUANINE | | Definition date: | 2002-01-22 | | Last modified: | 2020-06-17 | | Identifier: | 2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
|
 | | VD1 | | Name: | 5-{2-[1-(1-METHYL-PROPYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-2-METHYLENE-CYCLOHEXANE-1,3-DIOL | | Formula: | C23 H36 O2 | | SMILES: | OC3C(=C)C(O)CC(=CC=C1/CCCC2(C1CCC2C(C)CC)C)C3 | | InChi: | InChI=1S/C23H36O2/c1-5-15(2)19-10-11-20-18(7-6-12-23(19,20)4)9-8-17-13-21(24)16(3)22(25)14-17/h8-9,15,19-22,24-25H,3,5-7,10-14H2,1-2,4H3/b18-9+/t15-,19+,20-,21+,22+,23+/m0/s1 | | Synonyms: | 1-ALPHA-HYDROXY-2-METHYLENE-19-NOR-(20S)-BISHOMOPREGNACALCIFEROL | | Definition date: | 2003-12-17 | | Last modified: | 2020-06-17 | | Identifier: | (1R,3R,7E,17beta)-2-methylidene-17-[(1S)-1-methylpropyl]-9,10-secoestra-5,7-diene-1,3-diol |
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 | | PQ2 | | Name: | 3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13,20,24-hexahydroporphyrin-2,7,1
2,18-tetrayl]tetrapropanoic acid | | Formula: | C42 H48 N4 O16 | | SMILES: | N3=C4C=C5C(C(C(=Cc1nc(c(CCC(O)=O)c1CC(O)=O)Cc2c(c(c(n2)C=C3C(C4(CC(=O)O)C)CCC(O)=O)CC(O)=O)CCC(O)=O)N5)(C)CC(O)=O)CCC(O)=O | | InChi: | InChI=1S/C42H48N4O16/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/h14-16,23-24,43-44,46H,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-,30-16-,31-15-/t23?,24?,41-,42-/m0/s1 | | Synonyms: | Precorrin-2 | | Definition date: | 2019-06-20 | | Last modified: | 2020-06-17 | | Release date: | 2020-03-04 | | Identifier: | 3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13,20,24-hexahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoic acid |
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 | | VD2 | | Name: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-2-METHYL-CYCLOHEXANE-1,3-DIOL | | Formula: | C27 H46 O3 | | SMILES: | OC3CC(=C/C=C1CCCC2(C)C(C(C)CCCC(O)(C)C)CCC12)CC(O)C3C | | InChi: | InChI=1S/C27H46O3/c1-18(8-6-14-26(3,4)30)22-12-13-23-21(9-7-15-27(22,23)5)11-10-20-16-24(28)19(2)25(29)17-20/h10-11,18-19,22-25,28-30H,6-9,12-17H2,1-5H3/b20-10-,21-11+/t18-,19+,22-,23+,24-,25-,27-/m1/s1 | | Synonyms: | 2-ALPHA-METHYL-19-NOR-1,25-DIHYDROXYVITAMIN D3 | | Definition date: | 2003-12-17 | | Last modified: | 2020-06-17 | | Identifier: | (1R,2R,3R,5E,7E,17beta)-17-[(1R)-5-hydroxy-1,5-dimethylhexyl]-2-methyl-9,10-secoestra-5,7-diene-1,3-diol |
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