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MHC
MHC
表記:3-MERCAPTO-1-(1,3,4,9-TETRAHYDRO-B-CARBOLIN-2-YL)-PROPAN-1-ONE
組成式:C14 H16 N2 O S
SMILES:O=C(N3CCc2c1ccccc1nc2C3)CCS
InChi:InChI=1S/C14H16N2OS/c17-14(6-8-18)16-7-5-11-10-3-1-2-4-12(10)15-13(11)9-16/h1-4,15,18H,5-9H2
定義日:2002-12-06
最終更新日:2011-06-04
識別子（ID）:3-oxo-3-(1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl)propane-1-thiol
4HI
4HI
表記:(3R,5R)-7-[4-(benzylcarbamoyl)-2-(4-fluorophenyl)-5-(1-methylethyl)-1H-imidazol-1-yl]-3,5-dihydroxyheptanoic acid
組成式:C27 H32 F N3 O5
SMILES:O=C(O)CC(O)CC(O)CCn2c(c(nc2c1ccc(F)cc1)C(=O)NCc3ccccc3)C(C)C
InChi:InChI=1S/C27H32FN3O5/c1-17(2)25-24(27(36)29-16-18-6-4-3-5-7-18)30-26(19-8-10-20(28)11-9-19)31(25)13-12-21(32)14-22(33)15-23(34)35/h3-11,17,21-22,32-33H,12-16H2,1-2H3,(H,29,36)(H,34,35)/t21-,22-/m1/s1
定義日:2008-02-27
最終更新日:2011-06-04
識別子（ID）:(3R,5R)-7-[4-(benzylcarbamoyl)-2-(4-fluorophenyl)-5-(1-methylethyl)-1H-imidazol-1-yl]-3,5-dihydroxyheptanoic acid
ESG
ESG
表記:L-gamma-glutamyl-S-[(3S)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-L-cysteinylglycine
組成式:C16 H24 N4 O8 S
SMILES:CCN1C(=O)C[CH](SC[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC(O)=O)C1=O
InChi:InChI=1S/C16H24N4O8S/c1-2-20-12(22)5-10(15(20)26)29-7-9(14(25)18-6-13(23)24)19-11(21)4-3-8(17)16(27)28/h8-10H,2-7,17H2,1H3,(H,18,25)(H,19,21)(H,23,24)(H,27,28)/t8-,9-,10-/m0/s1
定義日:2010-01-18
最終更新日:2011-06-04
識別子（ID）:2-azanyl-5-[[(2R)-1-(carboxymethylamino)-3-[(3S)-1-ethyl-2,5-dioxo-pyrrolidin-3-yl]sulfanyl-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid
ESH
ESH
表記:4- [(1R,3AS,4R,8AS,8BR)- 2- (4-CHLOROBENZYL)- 1- ISOPROPYL- 3- OXODECAHYDROPYRROLO[3,4- A]PYRROLIZIN- 4- YL]BENZENECARBOXIMIDAMIDE
組成式:C26 H31 Cl N4 O
SMILES:Clc1ccc(cc1)CN2C(=O)C5C(C2C(C)C)C3N(CCC3)C5c4ccc(C(=[N@H])N)cc4
InChi:InChI=1S/C26H31ClN4O/c1-15(2)23-21-20-4-3-13-30(20)24(17-7-9-18(10-8-17)25(28)29)22(21)26(32)31(23)14-16-5-11-19(27)12-6-16/h5-12,15,20-24H,3-4,13-14H2,1-2H3,(H3,28,29)/t20-,21-,22-,23+,24-/m0/s1
定義日:2006-02-17
最終更新日:2011-06-04
識別子（ID）:4-[(1R,3aS,4R,8aS,8bR)-2-(4-chlorobenzyl)-1-(1-methylethyl)-3-oxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide
ESY
ESY
表記:benzyl N-[(benzyloxy)carbonyl]-L-alanyl-N~6~-[(2R,3S,4S)-3-formyl-2-hydroxy-4-methylhexanoyl]-L-lysinate
組成式:C32 H43 N3 O8
SMILES:O=CC(C(C)CC)C(O)C(=O)NCCCCC(C(=O)OCc1ccccc1)NC(=O)C(NC(=O)OCc2ccccc2)C
InChi:InChI=1S/C32H43N3O8/c1-4-22(2)26(19-36)28(37)30(39)33-18-12-11-17-27(31(40)42-20-24-13-7-5-8-14-24)35-29(38)23(3)34-32(41)43-21-25-15-9-6-10-16-25/h5-10,13-16,19,22-23,26-28,37H,4,11-12,17-18,20-21H2,1-3H3,(H,33,39)(H,34,41)(H,35,38)/t22-,23-,26-,27-,28+/m0/s1
定義日:2006-02-06
最終更新日:2011-06-04
識別子（ID）:benzyl N-[(benzyloxy)carbonyl]-L-alanyl-N~6~-[(2R,3S,4S)-3-formyl-2-hydroxy-4-methylhexanoyl]-L-lysinate
ET0
ET0
表記:3-(5-methoxy-1H-indol-3-yl)propanoic acid
組成式:C12 H13 N O3
SMILES:O=C(O)CCc2c1cc(OC)ccc1nc2
InChi:InChI=1S/C12H13NO3/c1-16-9-3-4-11-10(6-9)8(7-13-11)2-5-12(14)15/h3-4,6-7,13H,2,5H2,1H3,(H,14,15)
定義日:2008-10-08
最終更新日:2011-06-04
識別子（ID）:3-(5-methoxy-1H-indol-3-yl)propanoic acid
ET1
ET1
表記:3-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]-1H-indol-3-yl}propanoic acid
組成式:C19 H19 N O6 S
SMILES:O=S(=O)(c1ccc(OC)cc1)n3c2ccc(OC)cc2c(c3)CCC(=O)O
InChi:InChI=1S/C19H19NO6S/c1-25-14-4-7-16(8-5-14)27(23,24)20-12-13(3-10-19(21)22)17-11-15(26-2)6-9-18(17)20/h4-9,11-12H,3,10H2,1-2H3,(H,21,22)
定義日:2008-10-08
最終更新日:2011-06-04
識別子（ID）:3-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]-1H-indol-3-yl}propanoic acid
EV3
EV3
表記:3-(2-amino-5-chloro-1H-benzimidazol-1-yl)propan-1-ol
組成式:C10 H12 Cl N3 O
SMILES:Clc1cc2nc(N)n(c2cc1)CCCO
InChi:InChI=1S/C10H12ClN3O/c11-7-2-3-9-8(6-7)13-10(12)14(9)4-1-5-15/h2-3,6,15H,1,4-5H2,(H2,12,13)
定義日:2010-06-18
最終更新日:2011-06-04
識別子（ID）:3-(2-amino-5-chloro-1H-benzimidazol-1-yl)propan-1-ol
4PY
4PY
表記:(2S)-1-(6H-INDOL-3-YL)-3-{[5-(7H-PYRAZOLO[3,4-C]PYRIDIN-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE
組成式:C22 H20 N6 O
SMILES:N2=C(C=C1C=NN=C1C2)c5cc(OCC(N)CC3=C4C=CCC=C4N=C3)cnc5
InChi:InChI=1S/C22H20N6O/c23-17(5-14-9-25-20-4-2-1-3-19(14)20)13-29-18-6-15(8-24-11-18)21-7-16-10-27-28-22(16)12-26-21/h1,3-4,6-11,17H,2,5,12-13,23H2/t17-/m0/s1
定義日:2007-02-02
最終更新日:2011-06-04
識別子（ID）:(2S)-1-(6H-indol-3-yl)-3-{[5-(7H-pyrazolo[3,4-c]pyridin-5-yl)pyridin-3-yl]oxy}propan-2-amine
F34
F34
表記:N-[(3S,4R,5R,6R)-4,5,6-trihydroxyazepan-3-yl]acetamide
組成式:C8 H16 N2 O4
SMILES:O=C(NC1CNCC(O)C(O)C1O)C
InChi:InChI=1S/C8H16N2O4/c1-4(11)10-5-2-9-3-6(12)8(14)7(5)13/h5-9,12-14H,2-3H2,1H3,(H,10,11)/t5-,6+,7+,8+/m0/s1
定義日:2008-12-17
最終更新日:2011-06-04
識別子（ID）:N-[(3S,4R,5R,6R)-4,5,6-trihydroxyazepan-3-yl]acetamide
MIM
MIM
表記:[CYCLOHEXYLETHYL]-[[[[4-[2-METHYL-1-IMIDAZOLYL-BUTYL]PHENYL]ACETYL]-SERYL]-LYSINYL]-AMINE
組成式:C33 H52 N6 O4
SMILES:O=C(NCCC1CCCCC1)C(NC(=O)C(NC(=O)Cc2ccc(cc2)CCCCn3ccnc3C)CO)CCCCN
InChi:InChI=1S/C33H52N6O4/c1-25-35-20-22-39(25)21-8-6-11-27-13-15-28(16-14-27)23-31(41)37-30(24-40)33(43)38-29(12-5-7-18-34)32(42)36-19-17-26-9-3-2-4-10-26/h13-16,20,22,26,29-30,40H,2-12,17-19,21,23-24,34H2,1H3,(H,36,42)(H,37,41)(H,38,43)/t29-,30-/m0/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:N-({4-[4-(2-methyl-1H-imidazol-1-yl)butyl]phenyl}acetyl)-L-seryl-N-(2-cyclohexylethyl)-L-lysinamide
MIN
MIN
表記:METHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINE
組成式:C22 H34 N4 O2
SMILES:O=C(NCC1CCC(N)CC1)C3N(C(=O)C(NC)Cc2ccccc2)CCC3
InChi:InChI=1S/C22H34N4O2/c1-24-19(14-16-6-3-2-4-7-16)22(28)26-13-5-8-20(26)21(27)25-15-17-9-11-18(23)12-10-17/h2-4,6-7,17-20,24H,5,8-15,23H2,1H3,(H,25,27)/t17-,18-,19-,20+/m1/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:N-methyl-D-phenylalanyl-N-[(trans-4-aminocyclohexyl)methyl]-L-prolinamide
MIS
MIS
表記:MONOISOPROPYLPHOSPHORYLSERINE
組成式:C6 H14 N O6 P
SMILES:O=P(OCC(N)C(=O)O)(OC(C)C)O
InChi:InChI=1S/C6H14NO6P/c1-4(2)13-14(10,11)12-3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)(H,10,11)/t5-/m0/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:O-[(R)-hydroxy(1-methylethoxy)phosphoryl]-L-serine
MKC
MKC
表記:6-BENZYL-1-ETHOXYMETHYL-5-ISOPROPYL URACIL
組成式:C17 H22 N2 O3
SMILES:O=C1C(=C(N(C(=O)N1)COCC)Cc2ccccc2)C(C)C
InChi:InChI=1S/C17H22N2O3/c1-4-22-11-19-14(10-13-8-6-5-7-9-13)15(12(2)3)16(20)18-17(19)21/h5-9,12H,4,10-11H2,1-3H3,(H,18,20,21)
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:6-benzyl-1-(ethoxymethyl)-5-(1-methylethyl)pyrimidine-2,4(1H,3H)-dione
MLC
MLC
表記:MALONYL-COENZYME A
組成式:C24 H38 N7 O19 P3 S
SMILES:O=C(O)CC(=O)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
InChi:InChI=1S/C24H38N7O19P3S/c1-24(2,19(37)22(38)27-4-3-13(32)26-5-6-54-15(35)7-14(33)34)9-47-53(44,45)50-52(42,43)46-8-12-18(49-51(39,40)41)17(36)23(48-12)31-11-30-16-20(25)28-10-29-21(16)31/h10-12,17-19,23,36-37H,3-9H2,1-2H3,(H,26,32)(H,27,38)(H,33,34)(H,42,43)(H,44,45)(H2,25,28,29)(H2,39,40,41)/t12-,17-,18-,19+,23-/m1/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(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-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphahenicosan-21-oic acid 3,5-dioxide (non-preferred name)
MLI
MLI
表記:MALONATE ION
組成式:C3 H2 O4
SMILES:[O-]C(=O)CC([O-])=O
InChi:InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)/p-2
定義日:2003-06-12
最終更新日:2011-06-04
識別子（ID）:propanedioate
MLM
MLM
表記:3-AMINO-3-OXOPROPANOIC ACID
組成式:C3 H5 N O3
SMILES:O=C(N)CC(=O)O
InChi:InChI=1S/C3H5NO3/c4-2(5)1-3(6)7/h1H2,(H2,4,5)(H,6,7)
定義日:2002-12-18
最終更新日:2011-06-04
識別子（ID）:3-amino-3-oxopropanoic acid
MM0
MM0
表記:N,N'-(dibenzo[b,j][1,7]phenanthroline-2,10-diyldimethanediyl)dipropan-1-amine
組成式:C28 H30 N4
SMILES:n3c2c1cc5cc(ccc5nc1ccc2cc4c3ccc(c4)CNCCC)CNCCC
InChi:InChI=1S/C28H30N4/c1-3-11-29-17-19-6-9-26-22(13-19)15-21-7-10-27-24(28(21)32-26)16-23-14-20(18-30-12-4-2)5-8-25(23)31-27/h5-10,13-16,29-30H,3-4,11-12,17-18H2,1-2H3
定義日:2007-11-27
最終更新日:2011-06-04
識別子（ID）:N,N'-(dibenzo[b,j][1,7]phenanthroline-2,10-diyldimethanediyl)dipropan-1-amine
MM3
MM3
表記:N-HYDROXY-4-[(4-METHOXYLPHENYL)SULFONYL]-2,2-DIMETHYL-HEXAHYDRO-1,4-THIAZEPINE-3(S)-CARBOXAMIDE
組成式:C15 H22 N2 O5 S2
SMILES:O=S(=O)(N1C(C(=O)NO)C(SCCC1)(C)C)c2ccc(OC)cc2
InChi:InChI=1S/C15H22N2O5S2/c1-15(2)13(14(18)16-19)17(9-4-10-23-15)24(20,21)12-7-5-11(22-3)6-8-12/h5-8,13,19H,4,9-10H2,1-3H3,(H,16,18)/t13-/m1/s1
定義日:1999-10-11
最終更新日:2011-06-04
識別子（ID）:(3R)-N-hydroxy-4-[(4-methoxyphenyl)sulfonyl]-2,2-dimethyl-1,4-thiazepane-3-carboxamide
505
505
表記:(2R)-1-(2,6-dimethylphenoxy)propan-2-amine
組成式:C11 H17 N O
SMILES:O(c1c(cccc1C)C)CC(N)C
InChi:InChI=1S/C11H17NO/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6,10H,7,12H2,1-3H3/t10-/m1/s1
定義日:2007-12-05
最終更新日:2011-06-04
識別子（ID）:(2R)-1-(2,6-dimethylphenoxy)propan-2-amine
MMM
MMM
表記:(S,E)-3-HYDROXY-2-((3-HYDROXY-2-METHYL-5-(PHOSPHONOOXYMETHYL)PYRIDIN-4-YL)METHYLENEAMINO)-2-METHYLPROPANOIC ACID
組成式:C12 H17 N2 O8 P
SMILES:O=C(O)C(/N=C/c1c(cnc(c1O)C)COP(=O)(O)O)(C)CO
InChi:InChI=1S/C12H17N2O8P/c1-7-10(16)9(4-14-12(2,6-15)11(17)18)8(3-13-7)5-22-23(19,20)21/h3-4,15-16H,5-6H2,1-2H3,(H,17,18)(H2,19,20,21)/b14-4+/t12-/m0/s1
定義日:2007-07-25
最終更新日:2011-06-04
識別子（ID）:(E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-2-methyl-L-serine
MMP
MMP
表記:N-METHYLMESOPORPHYRIN
組成式:C35 H40 N4 O4
SMILES:O=C(O)CCc3c(c4cc1nc(C(=C1CC)C)cc5n(c(cc2nc(C(=C2C)CCC(=O)O)cc3n4)c(c5CC)C)C)C
InChi:InChI=1S/C35H40N4O4/c1-8-22-18(3)28-17-33-23(9-2)21(6)32(39(33)7)16-27-20(5)25(11-13-35(42)43)31(38-27)15-30-24(10-12-34(40)41)19(4)26(36-30)14-29(22)37-28/h14-17,36H,8-13H2,1-7H3,(H,40,41)(H,42,43)/b26-14-,27-16-,28-17-,29-14-,30-15-,31-15-,32-16-,33-17-
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:3,3'-(8,13-diethyl-3,7,12,17,22-pentamethylporphyrin-2,18-diyl)dipropanoic acid
516
516
表記:N-{(1S)-1-cyclohexyl-2-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl}-N~2~-methyl-L-alaninamide
組成式:C29 H36 N4 O2 S
SMILES:O=C(NC(C(=O)N1CCCC1c2nc(cs2)c4c3ccccc3ccc4)C5CCCCC5)C(NC)C
InChi:InChI=1S/C29H36N4O2S/c1-19(30-2)27(34)32-26(21-11-4-3-5-12-21)29(35)33-17-9-16-25(33)28-31-24(18-36-28)23-15-8-13-20-10-6-7-14-22(20)23/h6-8,10,13-15,18-19,21,25-26,30H,3-5,9,11-12,16-17H2,1-2H3,(H,32,34)/t19-,25-,26-/m0/s1
定義日:2009-04-15
最終更新日:2011-06-04
識別子（ID）:N-{(1S)-1-cyclohexyl-2-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl}-N~2~-methyl-L-alaninamide
51U
51U
表記:D-phenylalanyl-N-(3-methylbenzyl)-L-prolinamide
組成式:C22 H27 N3 O2
SMILES:O=C(NCc1cccc(c1)C)C3N(C(=O)C(N)Cc2ccccc2)CCC3
InChi:InChI=1S/C22H27N3O2/c1-16-7-5-10-18(13-16)15-24-21(26)20-11-6-12-25(20)22(27)19(23)14-17-8-3-2-4-9-17/h2-5,7-10,13,19-20H,6,11-12,14-15,23H2,1H3,(H,24,26)/t19-,20+/m1/s1
定義日:2007-12-18
最終更新日:2011-06-04
識別子（ID）:D-phenylalanyl-N-(3-methylbenzyl)-L-prolinamide
528
528
表記:(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-{(R)-HYDROXY[(1R)-2-METHYL-1-{[(3-PHENYLPROPYL)SULFONYL]AMINO}PROPYL]PHOSPHORYL}PROPANOIC ACID
組成式:C23 H33 N2 O6 P S
SMILES:O=S(=O)(NC(C(C)C)P(=O)(O)CC(c1cccc(c1)CN)C(=O)O)CCCc2ccccc2
InChi:InChI=1S/C23H33N2O6PS/c1-17(2)22(25-33(30,31)13-7-11-18-8-4-3-5-9-18)32(28,29)16-21(23(26)27)20-12-6-10-19(14-20)15-24/h3-6,8-10,12,14,17,21-22,25H,7,11,13,15-16,24H2,1-2H3,(H,26,27)(H,28,29)/t21-,22+/m0/s1
定義日:2007-04-20
最終更新日:2011-06-04
識別子（ID）:(2S)-2-[3-(aminomethyl)phenyl]-3-{(R)-hydroxy[(1R)-2-methyl-1-{[(3-phenylpropyl)sulfonyl]amino}propyl]phosphoryl}propanoic acid

223790

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