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MGE
MGE
Name:(1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-1-[(TRIDECANOYLOXY)METHYL]ETHYL PALMITATE
Formula:C38 H72 O10
SMILES:O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COC1OC(C(O)C(O)C1O)CO)CCCCCCCCCCCC
InChi:InChI=1S/C38H72O10/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-34(41)47-31(30-46-38-37(44)36(43)35(42)32(28-39)48-38)29-45-33(40)26-24-22-20-18-14-12-10-8-6-4-2/h31-32,35-39,42-44H,3-30H2,1-2H3/t31-,32+,35+,36+,37+,38-/m1/s1
Synonyms:MONOGALACTOSYL-DIACYLGLYCEROL
Definition date:2005-10-03
Last modified:2020-06-17
Identifier:(1S)-2-(alpha-L-allopyranosyloxy)-1-[(tridecanoyloxy)methyl]ethyl hexadecanoate
MGH
MGH
Name:methyl N-(carboxymethyl)-N-(3-phenylpropanoyl)glycyl-D-histidinate
Formula:C20 H24 N4 O6
SMILES:O=C(O)CN(C(=O)CCc1ccccc1)CC(=O)NC(C(=O)OC)Cc2ncnc2
InChi:InChI=1S/C20H24N4O6/c1-30-20(29)16(9-15-10-21-13-22-15)23-17(25)11-24(12-19(27)28)18(26)8-7-14-5-3-2-4-6-14/h2-6,10,13,16H,7-9,11-12H2,1H3,(H,21,22)(H,23,25)(H,27,28)/t16-/m1/s1
Synonyms:(S)-2-{2-[Carboxymethyl-(3-phenyl-propionyl)-amino]-acetylamino}-3-(3H-imidazol-4-yl)-propionic acid methyl ester
Definition date:2011-03-24
Last modified:2020-06-17
Release date:2013-08-28
Identifier:methyl N-(carboxymethyl)-N-(3-phenylpropanoyl)glycyl-D-histidinate
MGI
MGI
Name:methyl 4-(2,3-dihydroxy-5-methylphenoxy)-2-hydroxy-6-methylbenzoate
Formula:C16 H16 O6
SMILES:O=C(OC)c2c(cc(Oc1cc(cc(O)c1O)C)cc2O)C
InChi:InChI=1S/C16H16O6/c1-8-4-12(18)15(19)13(5-8)22-10-6-9(2)14(11(17)7-10)16(20)21-3/h4-7,17-19H,1-3H3
Synonyms:methyl-gerfelin
Definition date:2007-09-30
Last modified:2020-06-17
Identifier:methyl 4-(2,3-dihydroxy-5-methylphenoxy)-2-hydroxy-6-methylbenzoate
MGM
MGM
Name:2-[METHYL-(5-GERANYL-4-METHYL-PENT-3-ENYL)-AMINO]-ETHYL-DIPHOSPHATE
Formula:C19 H37 N O7 P2
SMILES:O=P(OP(=O)(OCCN(C)CCC=C(/C)CCC=C(/C)CCC=C(/C)C)O)(O)O
InChi:InChI=1S/C19H37NO7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13H,6-8,10,12,14-16H2,1-5H3,(H,24,25)(H2,21,22,23)/b18-11+,19-13+
Synonyms:3-AZAGERANYLGERANYL DIPHOSPHATE
Definition date:2002-11-20
Last modified:2020-06-17
Identifier:2-{methyl[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]amino}ethyl trihydrogen diphosphate
MGW
MGW
Name:methyl N-(carboxymethyl)-N-(2-phenylethyl)glycyl-L-histidinate
Formula:C19 H24 N4 O5
SMILES:O=C(O)CN(CCc1ccccc1)CC(=O)NC(C(=O)OC)Cc2cncn2
InChi:InChI=1S/C19H24N4O5/c1-28-19(27)16(9-15-10-20-13-21-15)22-17(24)11-23(12-18(25)26)8-7-14-5-3-2-4-6-14/h2-6,10,13,16H,7-9,11-12H2,1H3,(H,20,21)(H,22,24)(H,25,26)/t16-/m0/s1
Synonyms:( (S)-2-[2-(Carboxymethyl-phenethyl-amino)-acetylamino]-3-(1H-imidazol-4-yl)-propionic acid methyl ester
Definition date:2011-04-19
Last modified:2020-06-17
Release date:2013-08-28
Identifier:methyl N-(carboxymethyl)-N-(2-phenylethyl)glycyl-L-histidinate
MH2
MH2
Name:MANGANESE ION, 1 HYDROXYL COORDINATED
Formula:H Mn O
SMILES:[Mn+2]O
InChi:InChI=1S/Mn.H2O/h
Synonyms:[MN(OH)]+
Definition date:2002-06-26
Last modified:2020-06-17
Identifier:hydroxymanganese(2+)
MHN
MHN
Name:6-METHYLHEPTAN-1-OL
Formula:C8 H18 O
SMILES:OCCCCCC(C)C
InChi:InChI=1S/C8H18O/c1-8(2)6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
Synonyms:METHYL HEPTANOL
Definition date:2003-04-14
Last modified:2020-06-17
Identifier:6-methylheptan-1-ol
2X7
2X7
Name:(3E)-3-iminooxepin-2(3H)-one
Formula:C6 H5 N O2
SMILES:O=C1OC=CC=CC1=[N@H]
InChi:InChI=1S/C6H5NO2/c7-5-3-1-2-4-9-6(5)8/h1-4,7H/b7-5+
Synonyms:(4Z,6Z)-3-iminooxepin-2(3H)-one
Definition date:2012-05-23
Last modified:2020-06-17
Release date:2013-01-11
Identifier:(3E)-3-iminooxepin-2(3H)-one
MIY
MIY
Name:(4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE
Formula:C23 H27 N3 O7
SMILES:O=C(N)C1=C(O)C(N(C)C)C2CC4C(=C(O)C2(O)C1=O)C(=O)c3c(c(ccc3O)N(C)C)C4
InChi:InChI=1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,17,27,29-30,33H,7-8H2,1-4H3,(H2,24,32)/t9-,11-,17-,23-/m0/s1
Synonyms:MINOCYCLINE
Definition date:2006-06-09
Last modified:2020-06-17
Identifier:(4S,4aS,5aR,12aS)-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
2XM
2XM
Name:2,2'-((4-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-1,2-phenylene)bis(oxy))bis(ethan-1-ol)
Formula:C21 H27 N5 O4 S2
SMILES:OCCOc3c(OCCO)cc(c1nc(c(s1)CCC)CSc2nc(N)cc(n2)N)cc3
InChi:InChI=1S/C21H27N5O4S2/c1-2-3-17-14(12-31-21-25-18(22)11-19(23)26-21)24-20(32-17)13-4-5-15(29-8-6-27)16(10-13)30-9-7-28/h4-5,10-11,27-28H,2-3,6-9,12H2,1H3,(H4,22,23,25,26)
Synonyms:2,2'-{[4-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)benzene-1,2-diyl]bis(oxy)}diethanol
Definition date:2014-04-08
Last modified:2020-06-17
Release date:2014-11-05
Identifier:2,2'-{[4-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)benzene-1,2-diyl]bis(oxy)}diethanol
MJA
MJA
Name:(3R,5R)-3,5-dihydroxy-7-[(1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid
Formula:C19 H30 O5
SMILES:O=C(O)CC(O)CC(O)CCC2C(C=CC1=CC(CC(O)C12)C)C
InChi:InChI=1S/C19H30O5/c1-11-7-13-4-3-12(2)16(19(13)17(22)8-11)6-5-14(20)9-15(21)10-18(23)24/h3-4,7,11-12,14-17,19-22H,5-6,8-10H2,1-2H3,(H,23,24)/t11-,12-,14+,15+,16-,17-,19-/m0/s1
Synonyms:Monacolin J acid
Definition date:2009-06-18
Last modified:2020-06-17
Identifier:(3R,5R)-3,5-dihydroxy-7-[(1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid
2Y0
2Y0
Name:N-(2-(3-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)phenoxy)ethyl)methanesulfonamide
Formula:C20 H26 N6 O3 S3
SMILES:O=S(=O)(NCCOc1cccc(c1)c2nc(c(s2)CCC)CSc3nc(N)cc(n3)N)C
InChi:InChI=1S/C20H26N6O3S3/c1-3-5-16-15(12-30-20-25-17(21)11-18(22)26-20)24-19(31-16)13-6-4-7-14(10-13)29-9-8-23-32(2,27)28/h4,6-7,10-11,23H,3,5,8-9,12H2,1-2H3,(H4,21,22,25,26)
Synonyms:N-{2-[3-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)phenoxy]ethyl}methanesulfonamide
Definition date:2014-04-09
Last modified:2020-06-17
Release date:2015-02-18
Identifier:N-{2-[3-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)phenoxy]ethyl}methanesulfonamide
2Y2
2Y2
Name:N-[(2R)-1-{[(2S,3R,5R)-1-cyclohexyl-3-hydroxy-5-{[2-(morpholin-4-yl)ethyl]carbamoyl}oct-7-yn-2-yl]amino}-3-(methylsulfa nyl)-1-oxopropan-2-yl]-1H-benzimidazole-2-carboxamide
Formula:C33 H48 N6 O5 S
SMILES:O=C(c2nc1ccccc1n2)NC(C(=O)NC(CC3CCCCC3)C(O)CC(C(=O)NCCN4CCOCC4)CC#C)CSC
InChi:InChI=1S/C33H48N6O5S/c1-3-9-24(31(41)34-14-15-39-16-18-44-19-17-39)21-29(40)27(20-23-10-5-4-6-11-23)37-32(42)28(22-45-2)38-33(43)30-35-25-12-7-8-13-26(25)36-30/h1,7-8,12-13,23-24,27-29,40H,4-6,9-11,14-22H2,2H3,(H,34,41)(H,35,36)(H,37,42)(H,38,43)/t24-,27+,28+,29-/m1/s1
Synonyms:CP-108,420
Definition date:2010-11-10
Last modified:2020-06-17
Identifier:N-[(2R)-1-{[(2S,3R,5R)-1-cyclohexyl-3-hydroxy-5-{[2-(morpholin-4-yl)ethyl]carbamoyl}oct-7-yn-2-yl]amino}-3-(methylsulfanyl)-1-oxopropan-2-yl]-1H-benzimidazole-2-carboxamide
2Y4
2Y4
Name:N-[(2S)-1-[[(2S)-1-[[(2S,3R)-1-cyclohexyl-4,4-difluoro-3-hydroxy-5-(methylamino)-5-oxo-pentan-2-yl]amino]-1-oxo-hexan-2 -yl]amino]-1-oxo-3-phenyl-propan-2-yl]morpholine-4-carboxamide
Formula:C32 H49 F2 N5 O6
SMILES:O=C(NC(C(=O)NC(C(=O)NC(CC1CCCCC1)C(O)C(F)(F)C(=O)NC)CCCC)Cc2ccccc2)N3CCOCC3
InChi:InChI=1S/C32H49F2N5O6/c1-3-4-15-24(28(41)37-25(20-22-11-7-5-8-12-22)27(40)32(33,34)30(43)35-2)36-29(42)26(21-23-13-9-6-10-14-23)38-31(44)39-16-18-45-19-17-39/h6,9-10,13-14,22,24-27,40H,3-5,7-8,11-12,15-21H2,1-2H3,(H,35,43)(H,36,42)(H,37,41)(H,38,44)/t24-,25-,26-,27+/m0/s1
Synonyms:CP-81,198
Definition date:2010-11-09
Last modified:2020-06-17
Identifier:N-[(2S)-1-{[(2S)-1-{[(2S,3R)-1-cyclohexyl-4,4-difluoro-3-hydroxy-5-(methylamino)-5-oxopentan-2-yl]amino}-1-oxohexan-2-yl]amino}-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide (non-preferred name)
MJI
MJI
Name:1-HEXADECYL-3-TRIFLUOROETHYL-SN-GLYCERO-2-PHOSPHATE METHANE
Formula:C22 H44 F3 O6 P
SMILES:FC(F)(F)COCC(OP(=O)(OC)O)COCCCCCCCCCCCCCCCC
InChi:InChI=1S/C22H44F3O6P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-29-18-21(31-32(26,27)28-2)19-30-20-22(23,24)25/h21H,3-20H2,1-2H3,(H,26,27)/t21-/m1/s1
Synonyms:MJ33 INHIBITOR
Definition date:2000-10-17
Last modified:2020-06-17
Identifier:(1R)-2-(hexadecyloxy)-1-[(2,2,2-trifluoroethoxy)methyl]ethyl methyl hydrogen (R)-phosphate
2Y8
2Y8
Name:(R)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-methylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine
Formula:C19 H22 F N5 O2 S2
SMILES:FCCOc1c(OC)ccc(c1)c2nc(c(s2)C)C(Sc3nc(N)cc(n3)N)C
InChi:InChI=1S/C19H22FN5O2S2/c1-10-17(11(2)29-19-23-15(21)9-16(22)24-19)25-18(28-10)12-4-5-13(26-3)14(8-12)27-7-6-20/h4-5,8-9,11H,6-7H2,1-3H3,(H4,21,22,23,24)/t11-/m1/s1
Synonyms:2-{[(1R)-1-{2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl}ethyl]sulfanyl}pyrimidine-4,6-diamine
Definition date:2014-04-10
Last modified:2020-06-17
Release date:2014-11-05
Identifier:2-{[(1R)-1-{2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl}ethyl]sulfanyl}pyrimidine-4,6-diamine
MJV
MJV
Name:N-{2-[4-(5-chloro-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]ethyl}-4-fluorobenzamide
Formula:C21 H22 Cl F N4 O2
SMILES:c4c3NC(=O)N(C1CCN(CC1)CCNC(=O)c2ccc(cc2)F)c3ccc4Cl
InChi:InChI=1S/C21H22ClFN4O2/c22-15-3-6-19-18(13-15)25-21(29)27(19)17-7-10-26(11-8-17)12-9-24-20(28)14-1-4-16(23)5-2-14/h1-6,13,17H,7-12H2,(H,24,28)(H,25,29)
Synonyms:Halopemide
Definition date:2019-04-08
Last modified:2020-06-17
Release date:2020-02-19
Identifier:N-{2-[4-(5-chloro-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]ethyl}-4-fluorobenzamide
MK1
MK1
Name:N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE
Formula:C36 H47 N5 O4
SMILES:O=C(NC2c1ccccc1CC2O)C(Cc3ccccc3)CC(O)CN5C(C(=O)NC(C)(C)C)CN(Cc4cnccc4)CC5
InChi:InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/m1/s1
Synonyms:INDINAVIR
Definition date:1999-07-08
Last modified:2020-06-17
Identifier:(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-5-oxopentyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide (non-preferred name)
MK3
MK3
Name:6-{5-[(2-aminopyrimidin-4-yl)amino]-2-hydroxyphenyl}-N-methylidene-1-benzothiophene-2-carboxamide
Formula:C20 H15 N5 O2 S
SMILES:Nc1nccc(Nc2ccc(O)c(c2)c3ccc4cc(sc4c3)C(=O)N=C)n1
InChi:InChI=1S/C20H15N5O2S/c1-22-19(27)17-9-12-3-2-11(8-16(12)28-17)14-10-13(4-5-15(14)26)24-18-6-7-23-20(21)25-18/h2-10,26H,1H2,(H3,21,23,24,25)
Synonyms:6-(5-(2-aminopyrimidin-4-ylamino)-2-hydroxyphenyl)-N-methylbenzo[b]thiophene-2-carboxamide
Definition date:2009-10-21
Last modified:2020-06-17
Identifier:6-[5-[(2-azanylpyrimidin-4-yl)amino]-2-hydroxy-phenyl]-N-methylidene-1-benzothiophene-2-carboxamide
CTS
CTS
Name:CASTANOSPERMINE
Formula:C8 H15 N O4
SMILES:OC1CCN2C1C(O)C(O)C(O)C2
InChi:InChI=1S/C8H15NO4/c10-4-1-2-9-3-5(11)7(12)8(13)6(4)9/h4-8,10-13H,1-3H2/t4-,5-,6+,7+,8+/m0/s1
Synonyms:(1S,6S,7R,8R,8AR)-1,6,7,8-TETRAHYDROXYINDOLIZIDINE
Definition date:2000-04-10
Last modified:2020-06-17
Identifier:(1S,6S,7R,8R,8aR)-octahydroindolizine-1,6,7,8-tetrol
2ZE
2ZE
Name:(3R,4R,4aR,6aS,8R,9R,11aS,11bS)-4,9-bis(hydroxymethyl)-4,11b-dimethyltetradecahydro-8,11a-methanocyclohepta[a]naphthale ne-3,9-diol
Formula:C20 H34 O4
SMILES:OCC4(O)C3CC2C(C1(C(C(C)(CO)C(O)CC1)CC2)C)(C3)CC4
InChi:InChI=1S/C20H34O4/c1-17(11-21)15-4-3-13-9-14-10-19(13,7-8-20(14,24)12-22)18(15,2)6-5-16(17)23/h13-16,21-24H,3-12H2,1-2H3/t13-,14+,15-,16+,17-,18-,19-,20-/m0/s1
Synonyms:Aphidicolin
Definition date:2014-05-01
Last modified:2020-06-17
Release date:2014-11-26
Identifier:(3R,4R,4aR,6aS,8R,9R,11aS,11bS)-4,9-bis(hydroxymethyl)-4,11b-dimethyltetradecahydro-8,11a-methanocyclohepta[a]naphthalene-3,9-diol
2ZO
2ZO
Name:N,N,N-trimethyl-4-oxobutan-1-aminium
Formula:C7 H16 N O
SMILES:O=CCCC[N+](C)(C)C
InChi:InChI=1S/C7H16NO/c1-8(2,3)6-4-5-7-9/h7H,4-6H2,1-3H3/q+1
Synonyms:4-N-trimethylaminobutyraldehyde
Definition date:2014-05-01
Last modified:2020-06-17
Release date:2014-05-21
Identifier:N,N,N-trimethyl-4-oxobutan-1-aminium
CU9
CU9
Name:6,6',7',12'-tetramethoxy-2,2,2',2'-tetramethyltubocuraran-2,2'-diium
Formula:C40 H48 N2 O6
SMILES:O(c7ccc5cc7Oc1cc2c(cc1OC)CC[N+](C2Cc6ccc(Oc3c4c(cc(OC)c3OC)CC[N+](C)(C)C4C5)cc6)(C)C)C
InChi:InChI=1S/C40H48N2O6/c1-41(2)17-15-27-22-34(44-6)36-24-30(27)31(41)19-25-9-12-29(13-10-25)47-40-38-28(23-37(45-7)39(40)46-8)16-18-42(3,4)32(38)20-26-11-14-33(43-5)35(21-26)48-36/h9-14,21-24,31-32H,15-20H2,1-8H3/q+2/t31-,32+/m0/s1
Synonyms:metocurine
Definition date:2010-10-29
Last modified:2020-06-17
Identifier:6,6',7',12'-tetramethoxy-2,2,2',2'-tetramethyltubocuraran-2,2'-diium
CUE
CUE
Name:Coumestrol
Formula:C15 H8 O5
SMILES:O=C3Oc4cc(O)ccc4c2oc1c(ccc(O)c1)c23
InChi:InChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H
Synonyms:3,9-dihydroxy-6H-[1]benzofuro[3,2-c]chromen-6-one
Definition date:2009-09-29
Last modified:2020-06-17
Identifier:3,9-dihydroxy-6H-[1]benzofuro[3,2-c]chromen-6-one
CUO
CUO
Name:CU2-O2 CLUSTER
Formula:Cu2 O2
SMILES:O1[Cu]O[Cu]1
InChi:InChI=1S/2Cu.2O
Synonyms:CU-O2-CU LINKAGE
Definition date:2001-08-17
Last modified:2020-06-17
Identifier:1,3-dioxa-2$l^{2},4$l^{2}-dicupracyclobutane

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