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YN3
YN3
表記:~{N}-[(1~{S})-2-(dimethylamino)-1-phenyl-ethyl]-6,6-dimethyl-3-[[4-(propanoylamino)phenyl]carbonylamino]-1,4-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide
組成式:C28 H35 N7 O3
SMILES:CCC(=O)Nc1ccc(cc1)C(=O)Nc2n[nH]c3c2CN(C(=O)N[CH](CN(C)C)c4ccccc4)C3(C)C
InChi:InChI=1S/C28H35N7O3/c1-6-23(36)29-20-14-12-19(13-15-20)26(37)31-25-21-16-35(28(2,3)24(21)32-33-25)27(38)30-22(17-34(4)5)18-10-8-7-9-11-18/h7-15,22H,6,16-17H2,1-5H3,(H,29,36)(H,30,38)(H2,31,32,33,37)/t22-/m1/s1
定義日:2023-12-06
最終更新日:2024-09-27
公開日:2024-05-29
識別子（ID）:~{N}-[(1~{S})-2-(dimethylamino)-1-phenyl-ethyl]-6,6-dimethyl-3-[[4-(propanoylamino)phenyl]carbonylamino]-1,4-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide
Y9Z
Y9Z
表記:5'-O-[(S)-{[(S)-[2-(acetylamino)ethoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine
組成式:C14 H22 N6 O12 P2
SMILES:O=P(OCCNC(=O)C)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
InChi:InChI=1S/C14H22N6O12P2/c1-6(21)16-2-3-29-33(25,26)32-34(27,28)30-4-7-9(22)10(23)13(31-7)20-5-17-8-11(20)18-14(15)19-12(8)24/h5,7,9-10,13,22-23H,2-4H2,1H3,(H,16,21)(H,25,26)(H,27,28)(H3,15,18,19,24)/t7-,9-,10-,13-/m1/s1
定義日:2013-12-27
最終更新日:2024-09-27
公開日:2014-06-04
識別子（ID）:5'-O-[(S)-{[(S)-[2-(acetylamino)ethoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine
YA4
YA4
表記:[(2~{R},3~{S},4~{S})-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphinic acid
組成式:C5 H11 O6 P S
SMILES:O[CH]1CO[CH](CO[P](O)(S)=O)[CH]1O
InChi:InChI=1S/C5H11O6PS/c6-3-1-10-4(5(3)7)2-11-12(8,9)13/h3-7H,1-2H2,(H2,8,9,13)/t3-,4+,5-/m0/s1
定義日:2021-02-12
最終更新日:2024-09-27
公開日:2021-08-04
識別子（ID）:[(2~{R},3~{S},4~{S})-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphinic acid
YA5
YA5
表記:(8M)-8-{2-[(fluorosulfonyl)oxy]phenyl}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
組成式:C16 H10 F N O6 S
SMILES:FS(=O)(=O)Oc1ccccc1c1cccc2c1NC=C(C2=O)C(=O)O
InChi:InChI=1S/C16H10FNO6S/c17-25(22,23)24-13-7-2-1-4-9(13)10-5-3-6-11-14(10)18-8-12(15(11)19)16(20)21/h1-8H,(H,18,19)(H,20,21)
定義日:2023-11-28
最終更新日:2024-09-27
公開日:2024-09-25
識別子（ID）:(8M)-8-{2-[(fluorosulfonyl)oxy]phenyl}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
ZPN
ZPN
表記:(2Z,4E)-N-[(S)-[(1S,2E,5S,8E,10Z,17S)-3,11-dimethyl-19-methylidene-7,13-dioxo-6,21-dioxabicyclo[15.3.1]henicosa-2,8,10-trien-5-yl](hydroxy)methyl]hexa-2,4-dienamide
組成式:C29 H39 N O6
SMILES:O=C(/C=CC=CC)NC(O)C1OC(=O)C=CC=C(CC(=O)CCCC2OC(C=C(C)C1)CC(=C)/C2)C
InChi:InChI=1S/C29H39NO6/c1-5-6-7-13-27(32)30-29(34)26-19-22(4)18-25-17-21(3)16-24(35-25)12-9-11-23(31)15-20(2)10-8-14-28(33)36-26/h5-8,10,13-14,18,24-26,29,34H,3,9,11-12,15-17,19H2,1-2,4H3,(H,30,32)/b6-5+,13-7-,14-8+,20-10-,22-18+/t24-,25-,26-,29-/m0/s1
別名:(-)-ZAMPANOLIDE (Bound form)
定義日:2012-12-20
最終更新日:2024-09-27
公開日:2013-01-18
識別子（ID）:(2Z,4E)-N-[(S)-[(1S,2E,5S,8E,10Z,17S)-3,11-dimethyl-19-methylidene-7,13-dioxo-6,21-dioxabicyclo[15.3.1]henicosa-2,8,10-trien-5-yl](hydroxy)methyl]hexa-2,4-dienamide
ZPO
ZPO
表記:pyrazolidine-1-carboxylic acid
組成式:C4 H8 N2 O2
SMILES:N1CCCN1C(O)=O
InChi:InChI=1S/C4H8N2O2/c7-4(8)6-3-1-2-5-6/h5H,1-3H2,(H,7,8)
定義日:2018-08-22
最終更新日:2024-09-27
公開日:2019-07-03
識別子（ID）:pyrazolidine-1-carboxylic acid
ZPR
ZPR
表記:N-BENZYLOXYCARBONYL-L-PROLYL-L-PROLINAL
組成式:C18 H22 N2 O4
SMILES:O=C(N1C(C=O)CCC1)C3N(C(=O)OCc2ccccc2)CCC3
InChi:InChI=1S/C18H22N2O4/c21-12-15-8-4-10-19(15)17(22)16-9-5-11-20(16)18(23)24-13-14-6-2-1-3-7-14/h1-3,6-7,12,15-16H,4-5,8-11,13H2/t15-,16-/m0/s1
別名:Z-PRO-PROLINAL
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:benzyl (2S)-2-{[(2S)-2-formylpyrrolidin-1-yl]carbonyl}pyrrolidine-1-carboxylate
FMA
FMA
表記:6-(3-TETRADECANOIC ACID) FLAVINE MONONUCLEOTIDE
組成式:C31 H47 N4 O11 P
SMILES:O=P(O)(O)OCC(O)C(O)C(O)CN2c3cc(c(c(c3N=C1C2=NC(=O)NC1=O)C(CC(=O)O)CCCCCCCCCCC)C)C
InChi:InChI=1S/C31H47N4O11P/c1-4-5-6-7-8-9-10-11-12-13-20(15-24(38)39)25-19(3)18(2)14-21-26(25)32-27-29(33-31(42)34-30(27)41)35(21)16-22(36)28(40)23(37)17-46-47(43,44)45/h14,20,22-23,28,36-37,40H,4-13,15-17H2,1-3H3,(H,38,39)(H,34,41,42)(H2,43,44,45)/t20-,22+,23-,28+/m1/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:1-{6-[(1R)-1-(carboxymethyl)dodecyl]-7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl}-1-deoxy-5-O-phosphono-D-ribitol
YAC
YAC
表記:(4Z)-6-oxo-6-phenylhex-4-enoic acid
組成式:C12 H12 O3
SMILES:O=C(C=C/CCC(=O)O)c1ccccc1
InChi:InChI=1S/C12H12O3/c13-11(8-4-5-9-12(14)15)10-6-2-1-3-7-10/h1-4,6-8H,5,9H2,(H,14,15)/b8-4-
定義日:2014-10-02
最終更新日:2024-09-27
公開日:2014-12-03
識別子（ID）:(4Z)-6-oxo-6-phenylhex-4-enoic acid
NQ0
NQ0
表記:2-chloranyl-N-[[1-[1-[(4-chlorophenyl)amino]cyclopropyl]carbonylpiperidin-4-yl]methyl]ethanamide
組成式:C18 H23 Cl2 N3 O2
SMILES:ClCC(=O)NCC1CCN(CC1)C(=O)C2(CC2)Nc3ccc(Cl)cc3
InChi:InChI=1S/C18H23Cl2N3O2/c19-11-16(24)21-12-13-5-9-23(10-6-13)17(25)18(7-8-18)22-15-3-1-14(20)2-4-15/h1-4,13,22H,5-12H2,(H,21,24)
定義日:2022-08-17
最終更新日:2024-09-27
公開日:2023-09-20
識別子（ID）:2-chloranyl-~{N}-[[1-[1-[(4-chlorophenyl)amino]cyclopropyl]carbonylpiperidin-4-yl]methyl]ethanamide
FME
FME
表記:N-FORMYLMETHIONINE
組成式:C6 H11 N O3 S
SMILES:O=CNC(C(=O)O)CCSC
InChi:InChI=1S/C6H11NO3S/c1-11-3-2-5(6(9)10)7-4-8/h4-5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:N-formyl-L-methionine
FMF
FMF
表記:2-deoxy-2-fluoro-beta-D-mannopyranosyl fluoride
組成式:C6 H10 F2 O4
SMILES:FC1C(O)C(O)C(OC1F)CO
InChi:InChI=1S/C6H10F2O4/c7-3-5(11)4(10)2(1-9)12-6(3)8/h2-6,9-11H,1H2/t2-,3+,4-,5-,6?/m1/s1
別名:2-DEOXY-2-FLUOROHEXOPYRANOSYL FLUORIDE
定義日:2003-09-08
最終更新日:2024-09-27
識別子（ID）:2-deoxy-2-fluoro-beta-D-mannopyranosyl fluoride
YNM
YNM
表記:N-METHYL-L-TYROSINE
組成式:C10 H13 N O3
SMILES:O=C(O)C(NC)Cc1ccc(O)cc1
InChi:InChI=1S/C10H13NO3/c1-11-9(10(13)14)6-7-2-4-8(12)5-3-7/h2-5,9,11-12H,6H2,1H3,(H,13,14)/t9-/m0/s1
定義日:2009-09-03
最終更新日:2024-09-27
識別子（ID）:N-methyl-L-tyrosine
NQ6
NQ6
表記:N-(pyridin-2-yl)-L-asparagine
組成式:C9 H11 N3 O3
SMILES:O=C(Nc1ccccn1)CC(N)C(=O)O
InChi:InChI=1S/C9H11N3O3/c10-6(9(14)15)5-8(13)12-7-3-1-2-4-11-7/h1-4,6H,5,10H2,(H,14,15)(H,11,12,13)/t6-/m0/s1
定義日:2022-04-07
最終更新日:2024-09-27
公開日:2023-08-30
識別子（ID）:N-(pyridin-2-yl)-L-asparagine
NQ9
NQ9
表記:N-[[1-[4-azanyl-1-(4-chloranylphenoxy)cyclohexyl]carbonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide
組成式:C21 H29 Cl2 N3 O3
SMILES:N[CH]1CC[C](CC1)(Oc2ccc(Cl)cc2)C(=O)N3CC[CH](CC3)CNC(=O)CCl
InChi:InChI=1S/C21H29Cl2N3O3/c22-13-19(27)25-14-15-7-11-26(12-8-15)20(28)21(9-5-17(24)6-10-21)29-18-3-1-16(23)2-4-18/h1-4,15,17H,5-14,24H2,(H,25,27)/t17-,21+
定義日:2022-08-17
最終更新日:2024-09-27
公開日:2023-09-20
識別子（ID）:~{N}-[[1-[4-azanyl-1-(4-chloranylphenoxy)cyclohexyl]carbonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide
FMN
FMN
表記:FLAVIN MONONUCLEOTIDE
組成式:C17 H21 N4 O9 P
SMILES:N=2C(=O)NC(=O)C3=Nc1cc(C)c(C)cc1N(C=23)CC(O)C(O)C(O)COP(=O)(O)O
InChi:InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1
別名:RIBOFLAVIN MONOPHOSPHATE
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-5-O-phosphono-D-ribitol
ZQB
ZQB
表記:Pomotrelvir bound form
組成式:C23 H28 Cl N5 O3
SMILES:Clc1cccc2cc([NH]c21)C(=O)NC(CC1CC1)C(=O)NC(CC1CCCNC1=O)C=N
InChi:InChI=1S/C23H28ClN5O3/c24-17-5-1-3-14-11-19(28-20(14)17)23(32)29-18(9-13-6-7-13)22(31)27-16(12-25)10-15-4-2-8-26-21(15)30/h1,3,5,11-13,15-16,18,25,28H,2,4,6-10H2,(H,26,30)(H,27,31)(H,29,32)/b25-12-/t15-,16-,18-/m0/s1
定義日:2023-06-30
最終更新日:2024-09-27
公開日:2023-08-09
識別子（ID）:7-chloro-N-[(2S)-3-cyclopropyl-1-({(1Z,2S)-1-imino-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]-1H-indole-2-carboxamide
NQG
NQG
表記:5-AZANYLIDYNE-N-[(2S)-4-ETHOXY-2-HYDROXY-4-OXOBUTANOYL]-L-NORVALYL-L-ARGINYL-L-TRYPTOPHANAMIDE
組成式:C28 H39 N9 O7
SMILES:O=C(OCC)CC(O)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)Cc2c1ccccc1nc2)CCCNC(=[N@H])N)CCC#N
InChi:InChI=1S/C28H39N9O7/c1-2-44-23(39)14-22(38)27(43)36-19(9-5-11-29)25(41)35-20(10-6-12-33-28(31)32)26(42)37-21(24(30)40)13-16-15-34-18-8-4-3-7-17(16)18/h3-4,7-8,15,19-22,34,38H,2,5-6,9-10,12-14H2,1H3,(H2,30,40)(H,35,41)(H,36,43)(H,37,42)(H4,31,32,33)/t19-,20-,21-,22-/m0/s1
定義日:2006-11-09
最終更新日:2024-09-27
識別子（ID）:5-azanylidyne-N-[(2S)-4-ethoxy-2-hydroxy-4-oxobutanoyl]-L-norvalyl-L-arginyl-L-tryptophanamide
FMT
FMT
表記:FORMIC ACID
組成式:C H2 O2
SMILES:O=CO
InChi:InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:formic acid
NQI
NQI
表記:N~2~-[(2S)-2-{[(2R)-4-ETHOXY-2-HYDROXY-4-OXOBUTANOYL]AMINO}PENT-4-ENOYL]-L-ARGINYL-L-TRYPTOPHANAMIDE
組成式:C28 H40 N8 O7
SMILES:O=C(OCC)CC(O)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)Cc2c1ccccc1nc2)CCCNC(=[N@H])N)CC=C
InChi:InChI=1S/C28H40N8O7/c1-3-8-19(35-27(42)22(37)14-23(38)43-4-2)25(40)34-20(11-7-12-32-28(30)31)26(41)36-21(24(29)39)13-16-15-33-18-10-6-5-9-17(16)18/h3,5-6,9-10,15,19-22,33,37H,1,4,7-8,11-14H2,2H3,(H2,29,39)(H,34,40)(H,35,42)(H,36,41)(H4,30,31,32)/t19-,20-,21-,22+/m0/s1
定義日:2006-11-09
最終更新日:2024-09-27
識別子（ID）:N~2~-[(2S)-2-{[(2R)-4-ethoxy-2-hydroxy-4-oxobutanoyl]amino}pent-4-enoyl]-L-arginyl-L-tryptophanamide
FMU
FMU
表記:5-FLUORO-5-METHYLURIDINE-5'-MONOPHOSPHATE
組成式:C10 H16 F N2 O9 P
SMILES:O=C1N(CC(F)(C(=O)N1)C)C2OC(C(O)C2O)COP(=O)(O)O
InChi:InChI=1S/C10H16FN2O9P/c1-10(11)3-13(9(17)12-8(10)16)7-6(15)5(14)4(22-7)2-21-23(18,19)20/h4-7,14-15H,2-3H2,1H3,(H,12,16,17)(H2,18,19,20)/t4-,5-,6-,7-,10+/m1/s1
定義日:2005-01-06
最終更新日:2024-09-27
識別子（ID）:5-fluoro-5-methyluridine 5'-(dihydrogen phosphate)
NQL
NQL
表記:2-chloranyl-N-[[1-(4-phenylazanylpiperidin-4-yl)carbonylpiperidin-4-yl]methyl]ethanamide
組成式:C20 H29 Cl N4 O2
SMILES:ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCNCC2)Nc3ccccc3
InChi:InChI=1S/C20H29ClN4O2/c21-14-18(26)23-15-16-6-12-25(13-7-16)19(27)20(8-10-22-11-9-20)24-17-4-2-1-3-5-17/h1-5,16,22,24H,6-15H2,(H,23,26)
定義日:2022-08-17
最終更新日:2024-09-27
公開日:2023-09-20
識別子（ID）:2-chloranyl-~{N}-[[1-(4-phenylazanylpiperidin-4-yl)carbonylpiperidin-4-yl]methyl]ethanamide
YAZ
YAZ
表記:(2E)-3-(3-chloro-4-hydroxyphenyl)prop-2-enoic acid
組成式:C9 H7 Cl O3
SMILES:C(=O)(O)C=Cc1cc(Cl)c(cc1)O
InChi:InChI=1S/C9H7ClO3/c10-7-5-6(1-3-8(7)11)2-4-9(12)13/h1-5,11H,(H,12,13)/b4-2+
定義日:2018-09-19
最終更新日:2024-09-27
公開日:2019-05-29
識別子（ID）:(2E)-3-(3-chloro-4-hydroxyphenyl)prop-2-enoic acid
ZQN
ZQN
表記:N-(TERT-BUTYLOXYCARBONYL)-VALINE
組成式:C10 H19 N O4
SMILES:CC(C)[CH](NC(=O)OC(C)(C)C)C(O)=O
InChi:InChI=1S/C10H19NO4/c1-6(2)7(8(12)13)11-9(14)15-10(3,4)5/h6-7H,1-5H3,(H,11,14)(H,12,13)/t7-/m0/s1
別名:N-BOC-VALINE
定義日:2024-01-22
最終更新日:2024-09-27
公開日:2024-05-29
識別子（ID）:3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
FMZ
FMZ
表記:(2R,4S)-5,5-dimethyl-2-[(1R)-2-oxo-1-({(2R)-2-[(2-oxoimidazolidin-1-yl)amino]-2-phenylacetyl}amino)ethyl]-1,3-thiazolidine-4-carboxylic acid
組成式:C19 H25 N5 O5 S
SMILES:O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)C(c2ccccc2)NN3C(=O)NCC3
InChi:InChI=1S/C19H25N5O5S/c1-19(2)14(17(27)28)22-16(30-19)12(10-25)21-15(26)13(11-6-4-3-5-7-11)23-24-9-8-20-18(24)29/h3-7,10,12-14,16,22-23H,8-9H2,1-2H3,(H,20,29)(H,21,26)(H,27,28)/t12-,13-,14+,16-/m1/s1
定義日:2009-07-02
最終更新日:2024-09-27
識別子（ID）:(2R,4S)-5,5-dimethyl-2-[(1R)-2-oxo-1-({(2R)-2-[(2-oxoimidazolidin-1-yl)amino]-2-phenylacetyl}amino)ethyl]-1,3-thiazolidine-4-carboxylic acid

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