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LA2
LA2
Name:N~6~-[(6R)-6,8-disulfanyloctanoyl]-L-lysine
Formula:C14 H28 N2 O3 S2
SMILES:O=C(O)C(N)CCCCNC(=O)CCCCC(S)CCS
InChi:InChI=1S/C14H28N2O3S2/c15-12(14(18)19)6-3-4-9-16-13(17)7-2-1-5-11(21)8-10-20/h11-12,20-21H,1-10,15H2,(H,16,17)(H,18,19)/t11-,12+/m1/s1
Synonyms:lipoyllysine
Definition date:2008-04-16
Last modified:2021-03-01
Identifier:N~6~-[(6R)-6,8-disulfanyloctanoyl]-L-lysine
LA9
LA9
Name:(2S)-2-{[(R)-{(1R)-1-[(N-acetyl-L-leucyl)amino]ethyl}(hydroxy)phosphoryl]methyl}-4-phenylbutanoic acid
Formula:C21 H33 N2 O6 P
SMILES:O=C(NC(C(=O)NC(C)P(=O)(O)CC(C(=O)O)CCc1ccccc1)CC(C)C)C
InChi:InChI=1S/C21H33N2O6P/c1-14(2)12-19(22-15(3)24)20(25)23-16(4)30(28,29)13-18(21(26)27)11-10-17-8-6-5-7-9-17/h5-9,14,16,18-19H,10-13H2,1-4H3,(H,22,24)(H,23,25)(H,26,27)(H,28,29)/t16-,18-,19+/m1/s1
Synonyms:Acetyl-Leu-Ala-y(PO2CH2)-homoPhe-OH
Definition date:2014-12-17
Last modified:2021-03-01
Release date:2016-01-20
Identifier:(2S)-2-{[(R)-{(1R)-1-[(N-acetyl-L-leucyl)amino]ethyl}(hydroxy)phosphoryl]methyl}-4-phenylbutanoic acid
LAM
LAM
Name:4'-NITROPHENYL-S-(BETA-D-GLUCOPYRANOSYL)-(1-3)-(3-THIO-BETA-D-GLUCOPYRANOSYL)-(1-3)-BETA-D-GLUCOPYRANOSIDE
Formula:C24 H35 N O17 S
SMILES:[O-][N+](=O)c4ccc(OC3OC(CO)C(O)C(OC2OC(CO)C(O)C(SC1OC(C(O)C(O)C1O)CO)C2O)C3O)cc4
InChi:InChI=1S/C24H35NO17S/c26-5-10-13(29)16(32)17(33)24(41-10)43-21-15(31)12(7-28)40-23(19(21)35)42-20-14(30)11(6-27)39-22(18(20)34)38-9-3-1-8(2-4-9)25(36)37/h1-4,10-24,26-35H,5-7H2/t10-,11?,12-,13-,14?,15-,16+,17-,18?,19-,20?,21+,22?,23+,24+/m1/s1
Synonyms:4'-NITROPHENYL-3I-THIOLAMINARITRIOSIDE
Definition date:2001-06-04
Last modified:2021-03-01
Identifier:4-nitrophenyl beta-D-glucopyranosyl-(1->3)-3-thio-beta-D-glucopyranosyl-(1->3)hexopyranoside
39H
39H
Name:2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)acetamide
Formula:C23 H21 N3 O3
SMILES:O=C2c1ccccc1C(=NN2C)CC(=O)Nc5cc3c(oc4c3CCCC4)cc5
InChi:InChI=1S/C23H21N3O3/c1-26-23(28)17-8-3-2-6-15(17)19(25-26)13-22(27)24-14-10-11-21-18(12-14)16-7-4-5-9-20(16)29-21/h2-3,6,8,10-12H,4-5,7,9,13H2,1H3,(H,24,27)
Synonyms:D67
Definition date:2014-07-10
Last modified:2021-03-01
Release date:2014-07-23
Identifier:2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)acetamide
LAQ
LAQ
Name:5'-O-[(R)-({5-[(3R)-1,2-DITHIOLAN-3-YL]PENTANOYL}OXY)(HYDROXY)PHOSPHORYL]ADENOSINE
Formula:C18 H26 N5 O8 P S2
SMILES:O=P(O)(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)OC(=O)CCCCC4SSCC4
InChi:InChI=1S/C18H26N5O8PS2/c19-16-13-17(21-8-20-16)23(9-22-13)18-15(26)14(25)11(30-18)7-29-32(27,28)31-12(24)4-2-1-3-10-5-6-33-34-10/h8-11,14-15,18,25-26H,1-7H2,(H,27,28)(H2,19,20,21)/t10-,11-,14-,15-,18-/m1/s1
Synonyms:LIPOYL-AMP
Definition date:2006-12-27
Last modified:2021-03-01
Identifier:5'-O-[(R)-({5-[(3R)-1,2-dithiolan-3-yl]pentanoyl}oxy)(hydroxy)phosphoryl]adenosine
LAS
LAS
Name:N-acetyl-S-({(2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidin-2-yl}carbonyl)cysteine
Formula:C15 H24 N2 O7 S
SMILES:O=C1NC(C(=O)SCC(C(=O)O)NC(=O)C)(C(O)C1C)C(O)C(C)C
InChi:InChI=1S/C15H24N2O7S/c1-6(2)10(19)15(11(20)7(3)12(21)17-15)14(24)25-5-9(13(22)23)16-8(4)18/h6-7,9-11,19-20H,5H2,1-4H3,(H,16,18)(H,17,21)(H,22,23)/t7-,9?,10+,11+,15-/m1/s1
Synonyms:LACTACYSTIN
Definition date:2008-07-10
Last modified:2021-03-01
Identifier:N-acetyl-S-({(2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidin-2-yl}carbonyl)cysteine
LAZ
LAZ
Name:N-(2-AMINOETHYL)-P-CHLOROBENZAMIDE
Formula:C9 H10 Cl N O2
SMILES:O=C(c1ccc(Cl)cc1)NCCO
InChi:InChI=1S/C9H10ClNO2/c10-8-3-1-7(2-4-8)9(13)11-5-6-12/h1-4,12H,5-6H2,(H,11,13)
Synonyms:4-CHLORO-N-(2-HYDROXYETHYL)BENZAMIDE
Definition date:2003-07-08
Last modified:2021-03-01
Identifier:4-chloro-N-(2-hydroxyethyl)benzamide
39W
39W
Name:(2S,3aS,10Z,11aS,12aR)-2-({8-fluoro-7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-N-[(1-methylcyclopropyl)sulfonyl]-4,14-dioxo-1,2,3,3a,4,5,6,7,8,9,11a,12,13,14-tetradecahydro-12aH-cyclopropa[m]pyrrolo[1,2-c][1,3,6]triazacyclotetradecine-12a-carboxamide
Formula:C37 H45 F N6 O7 S2
SMILES:O=S(=O)(NC(=O)C12NC(=O)N6C(C(=O)N(C)CCCCC=CC2C1)CC(Oc4cc(nc3c(F)c(OC)ccc34)c5nc(cs5)C(C)C)C6)C7(C)CC7
InChi:InChI=1S/C37H45FN6O7S2/c1-21(2)26-20-52-32(40-26)25-17-29(24-11-12-28(50-5)30(38)31(24)39-25)51-23-16-27-33(45)43(4)15-9-7-6-8-10-22-18-37(22,41-35(47)44(27)19-23)34(46)42-53(48,49)36(3)13-14-36/h8,10-12,17,20-23,27H,6-7,9,13-16,18-19H2,1-5H3,(H,41,47)(H,42,46)/b10-8-/t22-,23+,27+,37-/m1/s1
Synonyms:IDX320
Definition date:2014-07-14
Last modified:2021-03-01
Release date:2015-07-29
Identifier:(2S,3aS,10Z,11aS,12aR)-2-({8-fluoro-7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-N-[(1-methylcyclopropyl)sulfonyl]-4,14-dioxo-1,2,3,3a,4,5,6,7,8,9,11a,12,13,14-tetradecahydro-12aH-cyclopropa[m]pyrrolo[1,2-c][1,3,6]triazacyclotetradecine-12a-carboxamide
3AL
3AL
Name:1-[(4S)-2,5-DIOXOIMIDAZOLIDIN-4-YL]UREA
Formula:C4 H6 N4 O3
SMILES:O=C(NC1C(=O)NC(=O)N1)N
InChi:InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11)/t1-/m0/s1
Synonyms:(S)-ALLANTOIN
Definition date:2007-06-04
Last modified:2021-03-01
Identifier:1-[(4S)-2,5-dioxoimidazolidin-4-yl]urea
3AT
3AT
Name:3'-DEOXYADENOSINE-5'-TRIPHOSPHATE
Formula:C10 H16 N5 O12 P3
SMILES:O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3
InChi:InChI=1S/C10H16N5O12P3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(16)1-5(25-10)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-6,10,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6+,10+/m0/s1
Synonyms:CORDYCEPIN TRIPHOSPHATE
Definition date:2000-06-21
Last modified:2021-03-01
Identifier:3'-deoxyadenosine 5'-(tetrahydrogen triphosphate)
LC2
LC2
Name:N-[(1S,2R,3E,5E,7S,9E,11E,13S,15R,19R)-7,13-dihydroxy-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetraen-2-yl]-2-oxopropanamide
Formula:C25 H33 N O7
SMILES:O=C(C(=O)NC2C=C(C=CC(O)CC=C(C=CC(O)CC1OC(=O)C2(C(=O)C1C)C)C)C)C
InChi:InChI=1S/C25H33NO7/c1-14-6-9-18(28)10-8-15(2)12-21(26-23(31)17(4)27)25(5)22(30)16(3)20(33-24(25)32)13-19(29)11-7-14/h6-8,10-12,16,18-21,28-29H,9,13H2,1-5H3,(H,26,31)/b10-8+,11-7+,14-6+,15-12+/t16-,18+,19-,20-,21-,25+/m1/s1
Synonyms:Lankacidin C
Definition date:2009-09-09
Last modified:2021-03-01
Identifier:N-[(1S,2R,3E,5E,7S,9E,11E,13S,15R,19R)-7,13-dihydroxy-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetraen-2-yl]-2-oxopropanamide
3B8
3B8
Name:2-amino-7-fluoro-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxamide
Formula:C13 H8 F N3 O3
SMILES:Fc2cc1C(=O)c3cc(c(nc3Oc1cc2)N)C(=O)N
InChi:InChI=1S/C13H8FN3O3/c14-5-1-2-9-6(3-5)10(18)7-4-8(12(16)19)11(15)17-13(7)20-9/h1-4H,(H2,15,17)(H2,16,19)
Synonyms:2-Amino-6-fluoro-10-oxo-10H-9-oxa-1-aza-anthracene-3-carboxylic acid amide
Definition date:2007-11-20
Last modified:2021-03-01
Identifier:2-amino-7-fluoro-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxamide
3BB
3BB
Name:3-BROMOBUT-3-EN-1-OL
Formula:C4 H7 Br O
SMILES:Br/C(=C)CCO
InChi:InChI=1S/C4H7BrO/c1-4(5)2-3-6/h6H,1-3H2
Synonyms:3-BROMO-3-BUTEN-1-OL
Definition date:2004-11-03
Last modified:2021-03-01
Identifier:3-bromobut-3-en-1-ol
3BH
3BH
Name:(2R,3R,4S,5R)-2-(6,8-diaminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Formula:C10 H14 N6 O4
SMILES:n2c1c(ncnc1n(c2N)C3OC(C(O)C3O)CO)N
InChi:InChI=1S/C10H14N6O4/c11-7-4-8(14-2-13-7)16(10(12)15-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,15)(H2,11,13,14)/t3-,5-,6-,9-/m1/s1
Synonyms:8-aminoadenosine
Definition date:2009-01-28
Last modified:2021-03-01
Identifier:8-aminoadenosine
LCL
LCL
Name:2,2-dichloro-N-[(1S,2S)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide
Formula:C11 H12 Cl2 N2 O5
SMILES:O=[N+]([O-])c1ccc(cc1)C(O)C(NC(=O)C(Cl)Cl)CO
InChi:InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m0/s1
Synonyms:L-Chloramphenicol
Definition date:2012-08-16
Last modified:2021-03-01
Release date:2013-05-08
Identifier:2,2-dichloro-N-[(1S,2S)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide
LCM
LCM
Name:N,N'-butane-1,4-diylbis(2,3-dihydroxybenzamide)
Formula:C18 H20 N2 O6
SMILES:O=C(c1cccc(O)c1O)NCCCCNC(=O)c2cccc(O)c2O
InChi:InChI=1S/C18H20N2O6/c21-13-7-3-5-11(15(13)23)17(25)19-9-1-2-10-20-18(26)12-6-4-8-14(22)16(12)24/h3-8,21-24H,1-2,9-10H2,(H,19,25)(H,20,26)
Synonyms:4-LICAM
Definition date:2013-01-22
Last modified:2021-03-01
Release date:2013-04-03
Identifier:N,N'-butane-1,4-diylbis(2,3-dihydroxybenzamide)
3CB
3CB
Name:N-[(3-CARBOXYBENZYL)SULFONYL]ISOLEUCYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}-5-IMINOORNITHINAMIDE
Formula:C27 H37 N7 O6 S
SMILES:O=C(O)c1cc(ccc1)CS(=O)(=O)NC(C(=O)NC(C(=O)NCc2ccc(cc2)C(=[N@H])N)CCC(=[N@H])N)C(C)CC
InChi:InChI=1S/C27H37N7O6S/c1-3-16(2)23(34-41(39,40)15-18-5-4-6-20(13-18)27(37)38)26(36)33-21(11-12-22(28)29)25(35)32-14-17-7-9-19(10-8-17)24(30)31/h4-10,13,16,21,23,34H,3,11-12,14-15H2,1-2H3,(H3,28,29)(H3,30,31)(H,32,35)(H,33,36)(H,37,38)/t16-,21+,23-/m1/s1
Synonyms:3-({1-[3-CARBAMIMIDOYL-1-(4-CARBAMIMIDOYL-BENZYLCARBAMOYL)-PROPYLCARBAMOYL]-2-METHYL-BUTYLSULFAMOYL}-METHYL)-BENZOIC ACID
Definition date:2004-11-24
Last modified:2021-03-01
Identifier:N-[(3-carboxybenzyl)sulfonyl]-D-isoleucyl-N-(4-carbamimidoylbenzyl)-5-imino-L-ornithinamide
LDE
LDE
Name:(2R)-2-{[(S)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]methyl}pentanedioic acid
Formula:C11 H22 N O6 P
SMILES:O=P(O)(CC(C(=O)O)CCC(=O)O)C(N)CC(C)C
InChi:InChI=1S/C11H22NO6P/c1-7(2)5-9(12)19(17,18)6-8(11(15)16)3-4-10(13)14/h7-9H,3-6,12H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)/t8-,9+/m0/s1
Synonyms:L-LEU-D-GLU PHOSPHINATE PSEUDODIPEPTIDE
Definition date:2011-05-18
Last modified:2021-03-01
Identifier:(2R)-2-{[(S)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]methyl}pentanedioic acid
3CD
3CD
Name:3-(CHLOROACETYL) PYRIDINE ADENINE DINUCLEOTIDE
Formula:C22 H28 Cl N6 O14 P2
SMILES:Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)[n+]5cccc(c5)C(=O)CCl)[CH](O)[CH]3O
InChi:InChI=1S/C22H27ClN6O14P2/c23-4-11(30)10-2-1-3-28(5-10)21-17(33)15(31)12(41-21)6-39-44(35,36)43-45(37,38)40-7-13-16(32)18(34)22(42-13)29-9-27-14-19(24)25-8-26-20(14)29/h1-3,5,8-9,12-13,15-18,21-22,31-34H,4,6-7H2,(H3-,24,25,26,35,36,37,38)/p+1/t12-,13-,15-,16-,17-,18-,21-,22-/m1/s1
Synonyms:3-CAPAD
Definition date:2010-02-10
Last modified:2021-03-01
Identifier:[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-[3-(2-chloroethanoyl)pyridin-1-ium-1-yl]-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate
3CM
3CM
Name:3-CYCLOHEXYLPROPYL 4-O-ALPHA-D-GLUCOPYRANOSYL-BETA-D-GLUCOPYRANOSIDE
Formula:C21 H38 O11
SMILES:O(CCCC1CCCCC1)C3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)CO
InChi:InChI=1S/C21H38O11/c22-9-12-14(24)15(25)17(27)21(30-12)32-19-13(10-23)31-20(18(28)16(19)26)29-8-4-7-11-5-2-1-3-6-11/h11-28H,1-10H2/t12-,13-,14-,15+,16-,17-,18-,19-,20-,21-/m1/s1
Synonyms:CYMAL-3
Definition date:2006-08-09
Last modified:2021-03-01
Identifier:3-cyclohexylpropyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside
LDT
LDT
Name:IDD594
Formula:C16 H12 Br F2 N O3 S
SMILES:Brc1cc(F)c(cc1)CNC(=S)c2ccc(F)cc2OCC(=O)O
InChi:InChI=1S/C16H12BrF2NO3S/c17-10-2-1-9(13(19)5-10)7-20-16(24)12-4-3-11(18)6-14(12)23-8-15(21)22/h1-6H,7-8H2,(H,20,24)(H,21,22)
Synonyms:[2-(4-BROMO-2-FLUORO-BENZYLTHIOCARBAMOYL)-5-FLUORO-PHENOXY]-ACETIC ACID
Definition date:2003-11-16
Last modified:2021-03-01
Identifier:{2-[(4-bromo-2-fluorobenzyl)carbamothioyl]-5-fluorophenoxy}acetic acid
3D1
3D1
Name:(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol
Formula:C10 H13 N5 O3
SMILES:n2c1c(ncnc1n(c2)C3OC(C(O)C3)CO)N
InChi:InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7+/m0/s1
Synonyms:2'-DEOXYADENOSINE
Definition date:2004-02-16
Last modified:2021-03-01
Identifier:2'-deoxyadenosine
3DR
3DR
Name:1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATE
Formula:C5 H11 O6 P
SMILES:O=P(OCC1OCCC1O)(O)O
InChi:InChI=1S/C5H11O6P/c6-4-1-2-10-5(4)3-11-12(7,8)9/h4-6H,1-3H2,(H2,7,8,9)/t4-,5+/m0/s1
Synonyms:ABASIC DIDEOXYRIBOSE
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:1,4-anhydro-2-deoxy-5-O-phosphono-D-erythro-pentitol
3DS
3DS
Name:(4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid
Formula:C7 H8 O5
SMILES:O=C1C=C(C(=O)O)CC(O)C1O
InChi:InChI=1S/C7H8O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,5-6,9-10H,2H2,(H,11,12)/t5-,6-/m1/s1
Synonyms:3-dehydroshikimate
Definition date:2010-05-27
Last modified:2021-03-01
Identifier:(4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid
3E1
3E1
Name:N,N'-(6,6'-dihydroxybiphenyl-3,3'-diyl)diacetamide
Formula:C16 H16 N2 O4
SMILES:O=C(Nc1cc(c(O)cc1)c2cc(ccc2O)NC(=O)C)C
InChi:InChI=1S/C16H16N2O4/c1-9(19)17-11-3-5-15(21)13(7-11)14-8-12(18-10(2)20)4-6-16(14)22/h3-8,21-22H,1-2H3,(H,17,19)(H,18,20)
Synonyms:acetaminophen dimer
Definition date:2014-08-04
Last modified:2021-03-01
Release date:2014-08-13
Identifier:N,N'-(6,6'-dihydroxybiphenyl-3,3'-diyl)diacetamide

223790

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