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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
MIJ
MIJ
表記:(2~{R},3~{S})-3-[[(2~{S})-3-cyclopropyl-2-[2-oxidanylidene-3-(2-phenylethanoylamino)pyridin-1-yl]propanoyl]amino]-~{N}-methyl-2-oxidanyl-4-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butanamide
組成式:C28 H35 N5 O6
SMILES:CNC(=O)[CH](O)[CH](C[CH]1CCNC1=O)NC(=O)[CH](CC2CC2)N3C=CC=C(NC(=O)Cc4ccccc4)C3=O
InChi:InChI=1S/C28H35N5O6/c1-29-27(38)24(35)21(16-19-11-12-30-25(19)36)32-26(37)22(14-18-9-10-18)33-13-5-8-20(28(33)39)31-23(34)15-17-6-3-2-4-7-17/h2-8,13,18-19,21-22,24,35H,9-12,14-16H2,1H3,(H,29,38)(H,30,36)(H,31,34)(H,32,37)/t19-,21-,22-,24+/m0/s1
定義日:2022-07-27
最終更新日:2024-09-27
公開日:2023-08-16
識別子（ID）:(2~{R},3~{S})-3-[[(2~{S})-3-cyclopropyl-2-[2-oxidanylidene-3-(2-phenylethanoylamino)pyridin-1-yl]propanoyl]amino]-~{N}-methyl-2-oxidanyl-4-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butanamide
XX1
XX1
表記:N~6~-7H-PURIN-6-YL-L-LYSINE
組成式:C11 H16 N6 O2
SMILES:O=C(O)C(N)CCCCNc1ncnc2ncnc12
InChi:InChI=1S/C11H16N6O2/c12-7(11(18)19)3-1-2-4-13-9-8-10(15-5-14-8)17-6-16-9/h5-7H,1-4,12H2,(H,18,19)(H2,13,14,15,16,17)/t7-/m0/s1
定義日:2007-04-26
最終更新日:2024-09-27
識別子（ID）:N~6~-7H-purin-6-yl-L-lysine
LPF
LPF
表記:1,1,1-TRIFLUORO-3-((N-ACETYL)-L-LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
組成式:C18 H23 F3 N2 O3
SMILES:FC(F)(F)C(=O)C(NC(=O)C(NC(=O)C)CC(C)C)Cc1ccccc1
InChi:InChI=1S/C18H23F3N2O3/c1-11(2)9-15(22-12(3)24)17(26)23-14(16(25)18(19,20)21)10-13-7-5-4-6-8-13/h4-8,11,14-15H,9-10H2,1-3H3,(H,22,24)(H,23,26)/t14-,15-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:N~2~-acetyl-N-[(1S)-1-benzyl-3,3,3-trifluoro-2-oxopropyl]-L-leucinamide
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
PSK
PSK
表記:[(3R,4S)-4-HYDROXY-3-METHYL-2-OXOHEXYL]PHOSPHONIC ACID
組成式:C7 H15 O4 P
SMILES:O=C(C(C(O)CC)C)CP(=O)O
InChi:InChI=1S/C7H15O4P/c1-3-6(8)5(2)7(9)4-12(10)11/h5-6,8,12H,3-4H2,1-2H3,(H,10,11)/t5-,6+/m1/s1
定義日:2006-06-06
最終更新日:2024-09-27
識別子（ID）:(S)-[(3R,4S)-4-hydroxy-3-methyl-2-oxohexyl]phosphinic acid
RST
RST
表記:3-amino-2,3,6-trideoxy-alpha-L-ribo-hexopyranose
組成式:C6 H13 N O3
SMILES:OC1C(OC(O)CC1N)C
InChi:InChI=1S/C6H13NO3/c1-3-6(9)4(7)2-5(8)10-3/h3-6,8-9H,2,7H2,1H3/t3-,4+,5+,6-/m0/s1
別名:RISTOSAMINE
定義日:2002-09-02
最終更新日:2024-09-27
識別子（ID）:3-amino-2,3,6-trideoxy-alpha-L-ribo-hexopyranose
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
LPH
LPH
表記:L-Propargylglycine
組成式:C5 H7 N O2
SMILES:O=C(O)C(N)CC#C
InChi:InChI=1S/C5H7NO2/c1-2-3-4(6)5(7)8/h1,4H,3,6H2,(H,7,8)/t4-/m0/s1
別名:(2S)-2-aminopent-4-ynoic acid
定義日:2014-10-03
最終更新日:2024-09-27
公開日:2014-10-29
識別子（ID）:(2S)-2-aminopent-4-ynoic 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
O56
O56
表記:1-[4-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-oxidanyl-piperidin-1-yl]-3-[2-(dimethylamino)ethyldisulfanyl]propan-1-one
組成式:C19 H26 Cl F3 N2 O2 S2
SMILES:CN(C)CCSSCCC(=O)N1CCC(O)(CC1)c2ccc(Cl)c(c2)C(F)(F)F
InChi:InChI=1S/C19H26ClF3N2O2S2/c1-24(2)10-12-29-28-11-5-17(26)25-8-6-18(27,7-9-25)14-3-4-16(20)15(13-14)19(21,22)23/h3-4,13,27H,5-12H2,1-2H3
定義日:2022-08-30
最終更新日:2024-09-27
公開日:2023-04-26
識別子（ID）:1-[4-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-oxidanyl-piperidin-1-yl]-3-[2-(dimethylamino)ethyldisulfanyl]propan-1-one
R0K
R0K
表記:(2~{S})-2-[[(4~{S})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]hexanedioic acid
組成式:C11 H18 N2 O7
SMILES:N[CH](CCC(=O)N[CH](CCCC(O)=O)C(O)=O)C(O)=O
InChi:InChI=1S/C11H18N2O7/c12-6(10(17)18)4-5-8(14)13-7(11(19)20)2-1-3-9(15)16/h6-7H,1-5,12H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t6-,7-/m0/s1
定義日:2023-03-29
最終更新日:2024-09-27
公開日:2023-04-05
識別子（ID）:(2~{S})-2-[[(4~{S})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]hexanedioic acid
LPI
LPI
表記:N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-methionine
組成式:C13 H21 N2 O7 P S
SMILES:O=P(O)(O)OCc1cnc(c(c1CNC(CCSC)C(O)=O)O)C
InChi:InChI=1S/C13H21N2O7PS/c1-8-12(16)10(6-15-11(13(17)18)3-4-24-2)9(5-14-8)7-22-23(19,20)21/h5,11,15-16H,3-4,6-7H2,1-2H3,(H,17,18)(H2,19,20,21)/t11-/m0/s1
定義日:2016-11-21
最終更新日:2024-09-27
公開日:2017-10-11
識別子（ID）:N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-methionine
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
PSN
PSN
表記:BENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE
組成式:C14 H13 O5 P
SMILES:O=P(OCc1ccccc1)(Oc2ccccc2C=O)O
InChi:InChI=1S/C14H13O5P/c15-10-13-8-4-5-9-14(13)19-20(16,17)18-11-12-6-2-1-3-7-12/h1-10H,11H2,(H,16,17)
別名:PASBN
定義日:2003-06-20
最終更新日:2024-09-27
識別子（ID）:benzyl 2-formylphenyl hydrogen (R)-phosphate
NC1
NC1
表記:NITROCEFIN ACYL-SERINE
組成式:C24 H21 N5 O11 S2
SMILES:[O-]C(=O)C(N)COC(=O)C(NC(=O)Cc1sccc1)C2SCC(=C(N2)C([O-])=O)C=Cc3ccc([N+]([O-])=O)cc3[N+]([O-])=O
InChi:InChI=1S/C24H23N5O11S2/c25-16(22(31)32)10-40-24(35)20(26-18(30)9-15-2-1-7-41-15)21-27-19(23(33)34)13(11-42-21)4-3-12-5-6-14(28(36)37)8-17(12)29(38)39/h1-8,16,20-21,27H,9-11,25H2,(H,26,30)(H,31,32)(H,33,34)/p-2/b4-3+/t16-,20-,21+/m0/s1
定義日:2002-10-08
最終更新日:2024-09-27
識別子（ID）:(2R)-2-{(1R)-2-[(2S)-2-amino-2-carboxylatoethoxy]-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5-[(E)-2-(2,4-dinitrophenyl)ethenyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylate
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
LPL
LPL
表記:LEU-HYDROXYETHYLENE-LEU
組成式:C13 H27 N O3
SMILES:O=C(O)C(CC(C)C)CC(O)C(N)CC(C)C
InChi:InChI=1S/C13H27NO3/c1-8(2)5-10(13(16)17)7-12(15)11(14)6-9(3)4/h8-12,15H,5-7,14H2,1-4H3,(H,16,17)/t10-,11+,12+/m1/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:(2R,4S,5S)-5-amino-4-hydroxy-7-methyl-2-(2-methylpropyl)octanoic acid
VUB
VUB
表記:2-[4-[(4-hydroxyphenyl)methyl]-2-(3-methylbutanimidoyl)-5-oxidanyl-imidazol-1-yl]ethanoic acid
組成式:C17 H21 N3 O4
SMILES:CC(C)CC(=N)c1nc(Cc2ccc(O)cc2)c(O)n1CC(O)=O
InChi:InChI=1S/C17H21N3O4/c1-10(2)7-13(18)16-19-14(17(24)20(16)9-15(22)23)8-11-3-5-12(21)6-4-11/h3-6,10,18,21,24H,7-9H2,1-2H3,(H,22,23)/b18-13-
定義日:2023-04-05
最終更新日:2024-09-27
公開日:2023-04-12
識別子（ID）:2-[4-[(4-hydroxyphenyl)methyl]-2-(3-methylbutanimidoyl)-5-oxidanyl-imidazol-1-yl]ethanoic acid
W9N
W9N
表記:1-{(1R,3r,5S)-3-[(3M)-4-methyl-3-{3-methyl-4-[(1-methyl-1H-benzimidazol-5-yl)oxy]phenyl}-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl}propan-1-one
組成式:C31 H33 N7 O2
SMILES:Cn1cnc2cc(ccc12)Oc1ccc(cc1C)c1nn(c2ncnc(C)c21)C1CC2CCC(C1)N2C(=O)CC
InChi:InChI=1S/C31H33N7O2/c1-5-28(39)37-21-7-8-22(37)14-23(13-21)38-31-29(19(3)32-16-33-31)30(35-38)20-6-11-27(18(2)12-20)40-24-9-10-26-25(15-24)34-17-36(26)4/h6,9-12,15-17,21-23H,5,7-8,13-14H2,1-4H3/t21-,22+,23+
定義日:2023-09-27
最終更新日:2024-09-27
公開日:2024-06-12
識別子（ID）:1-{(1R,3r,5S)-3-[(3M)-4-methyl-3-{3-methyl-4-[(1-methyl-1H-benzimidazol-5-yl)oxy]phenyl}-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl}propan-1-one
MIR
MIR
表記:Monoethylphosphorylserine
組成式:C5 H12 N O6 P
SMILES:O=P(OCC)(OCC(N)C(=O)O)O
InChi:InChI=1S/C5H12NO6P/c1-2-11-13(9,10)12-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10)/t4-/m0/s1
別名:O-[(S)-ethoxy(hydroxy)phosphoryl]-L-serine
定義日:2009-06-04
最終更新日:2024-09-27
識別子（ID）:O-[(S)-ethoxy(hydroxy)phosphoryl]-L-serine
UMP
UMP
表記:2'-DEOXYURIDINE 5'-MONOPHOSPHATE
組成式:C9 H13 N2 O8 P
SMILES:O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)CC2O
InChi:InChI=1S/C9H13N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
別名:DUMP
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:2'-deoxy-5'-uridylic acid
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:2024-09-27
識別子（ID）:O-[(R)-hydroxy(1-methylethoxy)phosphoryl]-L-serine
XXA
XXA
表記:2,4,5-trideoxy-2-(methylamino)-4-[(2E)-penta-2,4-dien-1-yl]-L-xylonic acid
組成式:C11 H19 N O3
SMILES:O=C(O)C(NC)C(O)C(C/C=C/C=C)C
InChi:InChI=1S/C11H19NO3/c1-4-5-6-7-8(2)10(13)9(12-3)11(14)15/h4-6,8-10,12-13H,1,7H2,2-3H3,(H,14,15)/b6-5+/t8-,9+,10-/m1/s1
定義日:2010-11-19
最終更新日:2024-09-27
識別子（ID）:2,4,5-trideoxy-2-(methylamino)-4-[(2E)-penta-2,4-dien-1-yl]-L-xylonic acid
PSR
PSR
表記:THIOBUTYRIC ACID S-{2-[3-(2-HYDROXY-3,3-DIMETHYL-4-PHOSPHONOOXY-BUTYRYLAMINO)-PROPIONYLAMINO]-ETHYL} ESTER
組成式:C15 H29 N2 O8 P S
SMILES:O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O)CCC
InChi:InChI=1S/C15H29N2O8PS/c1-4-5-12(19)27-9-8-16-11(18)6-7-17-14(21)13(20)15(2,3)10-25-26(22,23)24/h13,20H,4-10H2,1-3H3,(H,16,18)(H,17,21)(H2,22,23,24)/t13-/m1/s1
定義日:2002-02-26
最終更新日:2024-09-27
識別子（ID）:S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] butanethioate

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