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SEZ
SEZ
表記:1,3,5-trimethylbenzene
組成式:C9 H12
SMILES:Cc1cc(C)cc(C)c1
InChi:InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3
別名:mesitylene
定義日:2020-11-13
最終更新日:2024-09-27
公開日:2020-12-02
識別子（ID）:1,3,5-trimethylbenzene
75C
75C
表記:5'-({[(2R,3S)-3-amino-4-hydroxy-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}butyl]sulfonyl}amino)-5'-deoxyadenosine
組成式:C25 H44 N9 O13 P S2
SMILES:O=P(O)(O)OCC(C(C(NCCC(NCCSC(C(N)CO)CS(NCC3C(O)C(O)C(n2c1ncnc(c1nc2)N)O3)(=O)=O)=O)=O)O)(C)C
InChi:InChI=1S/C25H44N9O13PS2/c1-25(2,10-46-48(41,42)43)20(39)23(40)29-4-3-16(36)28-5-6-49-15(13(26)8-35)9-50(44,45)33-7-14-18(37)19(38)24(47-14)34-12-32-17-21(27)30-11-31-22(17)34/h11-15,18-20,24,33,35,37-39H,3-10,26H2,1-2H3,(H,28,36)(H,29,40)(H2,27,30,31)(H2,41,42,43)/t13-,14+,15-,18+,19+,20-,24+/m0/s1
定義日:2016-08-26
最終更新日:2024-09-27
公開日:2016-09-14
識別子（ID）:5'-({[(2R,3S)-3-amino-4-hydroxy-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}butyl]sulfonyl}amino)-5'-deoxyadenosine
SFD
SFD
表記:(S)-10-((2S,3S,4R)-5-((S)-((S)-(((2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXY-TETRAHYDROFURAN-2-YL)METHOXY)(HYDROXY)PHOSPHORYLOXY)(HYDROXY)PHOSPHORYLOXY)-2,3,4-TRIHYDROXYPENTYL)-7,8-DIMETHYL-2,4-DIOXO-2,3,4,4A-TETRAHYDROBENZO[G]PTERIDINE-5(10H)-SULFONIC ACID
組成式:C27 H35 N9 O18 P2 S
SMILES:O=S(=O)(O)N2c1cc(c(cc1N(C3=NC(=O)NC(=O)C23)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C)C
InChi:InChI=1S/C27H35N9O18P2S/c1-10-3-12-13(4-11(10)2)36(57(48,49)50)18-24(32-27(43)33-25(18)42)34(12)5-14(37)19(39)15(38)6-51-55(44,45)54-56(46,47)52-7-16-20(40)21(41)26(53-16)35-9-31-17-22(28)29-8-30-23(17)35/h3-4,8-9,14-16,18-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,33,42,43)(H,48,49,50)/t14-,15+,16+,18-,19-,20+,21+,26+/m0/s1
別名:N5-SULFONO FLAVIN-ADENINE DINUCLEOTIDE
定義日:2006-01-11
最終更新日:2024-09-27
識別子（ID）:(4aS)-10-[(2S,3S,4R)-5-{[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-2,3,4-trihydroxypentyl]-7,8-dimethyl-2,4-dioxo-2,4,4a,10-tetrahydrobenzo[g]pteridine-5(3H)-sulfonic acid (non-preferred name)
SFE
SFE
表記:(3S)-3-amino-3-phenylpropanoic acid
組成式:C9 H11 N O2
SMILES:O=C(O)CC(N)c1ccccc1
InChi:InChI=1S/C9H11NO2/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
別名:S-BETA-PHENYLALANINE
定義日:2011-05-30
最終更新日:2024-09-27
識別子（ID）:(3S)-3-amino-3-phenylpropanoic acid
75V
75V
表記:N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-ISOLEUCYL-L-ALANINE
組成式:C15 H24 N2 O7
SMILES:O=C(NC(C(=O)NC(C(=O)O)C)C(C)CC)C1OC1C(=O)OCC
InChi:InChI=1S/C15H24N2O7/c1-5-7(3)9(12(18)16-8(4)14(20)21)17-13(19)10-11(24-10)15(22)23-6-2/h7-11H,5-6H2,1-4H3,(H,16,18)(H,17,19)(H,20,21)/t7-,8-,9-,10-,11-/m0/s1
別名:CA075
定義日:2006-01-06
最終更新日:2024-09-27
識別子（ID）:N-{[(2S,3S)-3-(ethoxycarbonyl)oxiran-2-yl]carbonyl}-L-isoleucyl-L-alanine
SFR
SFR
表記:(2R)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-5-[(2R)-oxolan-2-yl]-2,3-dihydro-1,3-thiazole-4-carboxylic acid
組成式:C12 H17 N O6 S
SMILES:OC(=O)C(C1NC(C(O)=O)=C(S1)C2OCCC2)C(O)C
InChi:InChI=1S/C12H17NO6S/c1-5(14)7(11(15)16)10-13-8(12(17)18)9(20-10)6-3-2-4-19-6/h5-7,10,13-14H,2-4H2,1H3,(H,15,16)(H,17,18)/t5-,6-,7-,10-/m1/s1
別名:FAROPENEM, unbound, hydrolyzed form
定義日:2007-11-27
最終更新日:2024-09-27
識別子（ID）:(2R)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-5-[(2R)-oxolan-2-yl]-2,3-dihydro-1,3-thiazole-4-carboxylic acid
762
762
表記:3-{5-[AMINO(IMINIO)METHYL]-6-CHLORO-1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-2-OLATE
組成式:C20 H15 Cl N4 O
SMILES:[O-]c4c(c1ccccc1)cccc4c3nc2cc(c(Cl)cc2n3)C(=[NH2+])N
InChi:InChI=1S/C20H15ClN4O/c21-15-10-17-16(9-14(15)19(22)23)24-20(25-17)13-8-4-7-12(18(13)26)11-5-2-1-3-6-11/h1-10,26H,(H3,22,23)(H,24,25)
別名:CRA_10762
定義日:2003-03-14
最終更新日:2024-09-27
識別子（ID）:3-{5-[amino(iminio)methyl]-6-chloro-1H-benzimidazol-2-yl}biphenyl-2-olate
MRF
MRF
表記:2-chloranyl-~{N}-[[1-[4-(4-chloranylphenoxy)piperidin-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide
組成式:C20 H27 Cl2 N3 O3
SMILES:ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCNCC2)Oc3ccc(Cl)cc3
InChi:InChI=1S/C20H27Cl2N3O3/c21-13-18(26)24-14-15-5-11-25(12-6-15)19(27)20(7-9-23-10-8-20)28-17-3-1-16(22)2-4-17/h1-4,15,23H,5-14H2,(H,24,26)
定義日:2022-08-04
最終更新日:2024-09-27
公開日:2023-09-20
識別子（ID）:2-chloranyl-~{N}-[[1-[4-(4-chloranylphenoxy)piperidin-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide
MRG
MRG
表記:N2-(3-MERCAPTOPROPYL)-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE
組成式:C13 H20 N5 O7 P S
SMILES:O=C1c2ncn(c2N=C(NCCCS)N1)C3OC(C(O)C3)COP(=O)(O)O
InChi:InChI=1S/C13H20N5O7PS/c19-7-4-9(25-8(7)5-24-26(21,22)23)18-6-15-10-11(18)16-13(17-12(10)20)14-2-1-3-27/h6-9,19,27H,1-5H2,(H2,21,22,23)(H2,14,16,17,20)/t7-,8+,9+/m0/s1
定義日:2002-12-09
最終更新日:2024-09-27
識別子（ID）:2'-deoxy-N-(3-sulfanylpropyl)guanosine 5'-(dihydrogen phosphate)
MRJ
MRJ
表記:N-[2-(dodecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
組成式:C23 H46 N3 O8 P
SMILES:OP(O)(=O)OCC(C)(C(O)C(=O)NCCC(=O)NCCNC(CCCCCCCCCCC)=O)C
InChi:InChI=1S/C23H46N3O8P/c1-4-5-6-7-8-9-10-11-12-13-19(27)24-16-17-25-20(28)14-15-26-22(30)21(29)23(2,3)18-34-35(31,32)33/h21,29H,4-18H2,1-3H3,(H,24,27)(H,25,28)(H,26,30)(H2,31,32,33)/t21-/m0/s1
定義日:2019-04-15
最終更新日:2024-09-27
公開日:2020-04-15
識別子（ID）:N-[2-(dodecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
76V
76V
表記:N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-ISOLEUCYL-L-ISOLEUCINE
組成式:C18 H30 N2 O7
SMILES:O=C(NC(C(=O)NC(C(=O)O)C(C)CC)C(C)CC)C1OC1C(=O)OCC
InChi:InChI=1S/C18H30N2O7/c1-6-9(4)11(15(21)20-12(17(23)24)10(5)7-2)19-16(22)13-14(27-13)18(25)26-8-3/h9-14H,6-8H2,1-5H3,(H,19,22)(H,20,21)(H,23,24)/t9-,10-,11-,12-,13-,14-/m0/s1
別名:CA076
定義日:2006-01-05
最終更新日:2024-09-27
識別子（ID）:N-{[(2S,3S)-3-(ethoxycarbonyl)oxiran-2-yl]carbonyl}-L-isoleucyl-L-isoleucine
77B
77B
表記:BENZYL N-({(2S,3S)-3-[(BENZYLAMINO)CARBONYL]OXIRAN-2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE
組成式:C29 H35 N3 O6
SMILES:O=C(NC(C(=O)N2C(C(=O)OCc1ccccc1)CCC2)C(C)CC)C4OC4C(=O)NCc3ccccc3
InChi:InChI=1S/C29H35N3O6/c1-3-19(2)23(31-27(34)25-24(38-25)26(33)30-17-20-11-6-4-7-12-20)28(35)32-16-10-15-22(32)29(36)37-18-21-13-8-5-9-14-21/h4-9,11-14,19,22-25H,3,10,15-18H2,1-2H3,(H,30,33)(H,31,34)/t19-,22-,23-,24-,25-/m0/s1
別名:CA077
定義日:2006-01-05
最終更新日:2024-09-27
識別子（ID）:benzyl N-{[(2S,3S)-3-(benzylcarbamoyl)oxiran-2-yl]carbonyl}-L-isoleucyl-L-prolinate
MS6
MS6
表記:(2S)-2-amino-4-(methylsulfanyl)butane-1-thiol
組成式:C5 H13 N S2
SMILES:C(N)(CS)CCSC
InChi:InChI=1S/C5H13NS2/c1-8-3-2-5(6)4-7/h5,7H,2-4,6H2,1H3/t5-/m0/s1
定義日:2020-09-03
最終更新日:2024-09-27
公開日:2020-09-23
識別子（ID）:(2S)-2-amino-4-(methylsulfanyl)butane-1-thiol
MSA
MSA
表記:(2-S-METHYL) SARCOSINE
組成式:C4 H9 N O2 S
SMILES:O=C(O)C(SC)NC
InChi:InChI=1S/C4H9NO2S/c1-5-3(8-2)4(6)7/h3,5H,1-2H3,(H,6,7)/t3-/m1/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:(2R)-(methylamino)(methylsulfanyl)ethanoic acid
MSE
MSE
表記:SELENOMETHIONINE
組成式:C5 H11 N O2 Se
SMILES:O=C(O)C(N)CC[Se]C
InChi:InChI=1S/C5H11NO2Se/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:(2S)-2-amino-4-(methylselanyl)butanoic acid
MSI
MSI
表記:1-METHYL-5-(2-PHENOXYMETHYL-PYRROLIDINE-1-SULFONYL)-1H-INDOLE-2,3-DIONE
組成式:C20 H20 N2 O5 S
SMILES:O=S(=O)(c2cc1C(=O)C(=O)N(c1cc2)C)N4C(COc3ccccc3)CCC4
InChi:InChI=1S/C20H20N2O5S/c1-21-18-10-9-16(12-17(18)19(23)20(21)24)28(25,26)22-11-5-6-14(22)13-27-15-7-3-2-4-8-15/h2-4,7-10,12,14H,5-6,11,13H2,1H3/t14-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:1-methyl-5-{[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl}-1H-indole-2,3-dione
MSO
MSO
表記:SELENOMETHIONINE SELENOXIDE
組成式:C5 H11 N O3 Se
SMILES:O=C(O)C(N)CC[Se](=O)C
InChi:InChI=1S/C5H11NO3Se/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10+/m0/s1
定義日:2000-08-18
最終更新日:2024-09-27
識別子（ID）:(2S)-2-amino-4-(methylseleninyl)butanoic acid
780
780
表記:3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-2-OLATE
組成式:C20 H16 N4 O
SMILES:[O-]c4c(c1ccccc1)cccc4c3nc2cc(ccc2n3)C(=[NH2+])N
InChi:InChI=1S/C20H16N4O/c21-19(22)13-9-10-16-17(11-13)24-20(23-16)15-8-4-7-14(18(15)25)12-5-2-1-3-6-12/h1-11,25H,(H3,21,22)(H,23,24)
別名:CRA_7806
定義日:2003-03-14
最終更新日:2024-09-27
識別子（ID）:3-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}biphenyl-2-olate
781
781
表記:N-(5-hydroxynaphthalen-2-yl)propanamide
組成式:C13 H13 N O2
SMILES:O=C(Nc2cc1cccc(O)c1cc2)CC
InChi:InChI=1S/C13H13NO2/c1-2-13(16)14-10-6-7-11-9(8-10)4-3-5-12(11)15/h3-8,15H,2H2,1H3,(H,14,16)
別名:N-(5-hydroxynaphthalen-2-yl)prop-2-enamide, bound form
定義日:2015-03-23
最終更新日:2024-09-27
公開日:2015-08-12
識別子（ID）:N-(5-hydroxynaphthalen-2-yl)propanamide
MSU
MSU
表記:SUCCINIC ACID MONOMETHYL ESTER
組成式:C5 H8 O4
SMILES:O=C(O)CCC(=O)OC
InChi:InChI=1S/C5H8O4/c1-9-5(8)3-2-4(6)7/h2-3H2,1H3,(H,6,7)
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:4-methoxy-4-oxobutanoic acid
783
783
表記:3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-5-METHOXY-1,1'-BIPHENYL-2-OLATE
組成式:C22 H19 N3 O2
SMILES:[O-]c4c(c1ccccc1)cc(OC)cc4c3cc2cc(ccc2n3)C(=[NH2+])N
InChi:InChI=1S/C22H19N3O2/c1-27-16-11-17(13-5-3-2-4-6-13)21(26)18(12-16)20-10-15-9-14(22(23)24)7-8-19(15)25-20/h2-12,25-26H,1H3,(H3,23,24)
別名:CRA_14783
定義日:2003-03-14
最終更新日:2024-09-27
識別子（ID）:3-{5-[amino(iminio)methyl]-1H-indol-2-yl}-5-methoxybiphenyl-2-olate
MSW
MSW
表記:[(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
組成式:C13 H20 N O5 P
SMILES:CCC[P](O)(=O)O[CH](CNC(=O)OC)c1ccccc1
InChi:InChI=1S/C13H20NO5P/c1-3-9-20(16,17)19-12(10-14-13(15)18-2)11-7-5-4-6-8-11/h4-8,12H,3,9-10H2,1-2H3,(H,14,15)(H,16,17)/t12-/m1/s1
定義日:2016-09-06
最終更新日:2024-09-27
公開日:2017-09-13
識別子（ID）:[(1~{S})-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
785
785
表記:2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-4-(TRIFLUOROMETHOXY)BENZENOLATE
組成式:C15 H11 F3 N4 O2
SMILES:FC(F)(F)Oc3cc(c2nc1cc(ccc1n2)C(=[NH2+])N)c([O-])cc3
InChi:InChI=1S/C15H11F3N4O2/c16-15(17,18)24-8-2-4-12(23)9(6-8)14-21-10-3-1-7(13(19)20)5-11(10)22-14/h1-6,23H,(H3,19,20)(H,21,22)
別名:CRA_9785
定義日:2003-03-14
最終更新日:2024-09-27
識別子（ID）:2-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-4-(trifluoromethoxy)phenolate
MT2
MT2
表記:[(3S)-3-amino-3-carboxypropyl](ethyl)methylsulfonium
組成式:C7 H16 N O2 S
SMILES:O=C(O)C(N)CC[S+](C)CC
InChi:InChI=1S/C7H15NO2S/c1-3-11(2)5-4-6(8)7(9)10/h6H,3-5,8H2,1-2H3/p+1/t6-,11+/m0/s1
別名:S-ethyl-L-Methionine
定義日:2008-02-18
最終更新日:2024-09-27
識別子（ID）:[(3S)-3-amino-3-carboxypropyl](ethyl)methylsulfonium
78A
78A
表記:N-({(2S,3S)-3-[(BENZYLAMINO)CARBONYL]OXIRAN-2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINE
組成式:C22 H29 N3 O6
SMILES:O=C(NC(C(=O)N1C(C(=O)O)CCC1)C(C)CC)C3OC3C(=O)NCc2ccccc2
InChi:InChI=1S/C22H29N3O6/c1-3-13(2)16(21(28)25-11-7-10-15(25)22(29)30)24-20(27)18-17(31-18)19(26)23-12-14-8-5-4-6-9-14/h4-6,8-9,13,15-18H,3,7,10-12H2,1-2H3,(H,23,26)(H,24,27)(H,29,30)/t13-,15-,16-,17-,18-/m0/s1
別名:CA078
定義日:2006-01-05
最終更新日:2024-09-27
識別子（ID）:N-{[(2S,3S)-3-(benzylcarbamoyl)oxiran-2-yl]carbonyl}-L-isoleucyl-L-proline

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