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N4U
N4U
表記:~{N}-(2-methylpyrimidin-5-yl)propanamide
組成式:C8 H11 N3 O
SMILES:CCC(=O)Nc1cnc(C)nc1
InChi:InChI=1S/C8H11N3O/c1-3-8(12)11-7-4-9-6(2)10-5-7/h4-5H,3H2,1-2H3,(H,11,12)
定義日:2022-08-12
最終更新日:2024-09-27
公開日:2022-09-28
識別子（ID）:~{N}-(2-methylpyrimidin-5-yl)propanamide
VMX
VMX
表記:5'-{[(3-aminopropyl)sulfonyl]amino}-5'-deoxyadenosine
組成式:C13 H21 N7 O5 S
SMILES:NCCC[S](=O)(=O)NC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
InChi:InChI=1S/C13H21N7O5S/c14-2-1-3-26(23,24)19-4-7-9(21)10(22)13(25-7)20-6-18-8-11(15)16-5-17-12(8)20/h5-7,9-10,13,19,21-22H,1-4,14H2,(H2,15,16,17)/t7-,9-,10-,13-/m1/s1
定義日:2009-12-30
最終更新日:2024-09-27
識別子（ID）:N-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl]-3-azanyl-propane-1-sulfonamide
RZZ
RZZ
表記:1-Hydroxy-1,3-dihydro-2,1-benzoxaborole-6-carboxylic acid
組成式:C8 H7 B O4
SMILES:OB1OCc2ccc(cc12)C(O)=O
InChi:InChI=1S/C8H7BO4/c10-8(11)5-1-2-6-4-13-9(12)7(6)3-5/h1-3,12H,4H2,(H,10,11)
別名:1-methyl-3H-2,1-benzoxaborole-6-carboxylic acid
定義日:2020-11-04
最終更新日:2024-09-27
公開日:2021-08-11
識別子（ID）:1-oxidanyl-3~{H}-2,1-benzoxaborole-6-carboxylic acid
NXT
NXT
表記:4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid
組成式:C9 H10 O3
SMILES:OC(=O)c1coc2CCCCc12
InChi:InChI=1S/C9H10O3/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h5H,1-4H2,(H,10,11)
定義日:2020-01-07
最終更新日:2024-09-27
公開日:2020-11-25
識別子（ID）:4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid
PLM
PLM
表記:PALMITIC ACID
組成式:C16 H32 O2
SMILES:O=C(O)CCCCCCCCCCCCCCC
InChi:InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:hexadecanoic acid
5GP
5GP
表記:GUANOSINE-5'-MONOPHOSPHATE
組成式:C10 H14 N5 O8 P
SMILES:O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3O)COP(=O)(O)O
InChi:InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:5'-guanylic acid
UST
UST
表記:4-(2,3-dihydroindol-1-ylsulfonyl)benzaldehyde
組成式:C15 H13 N O3 S
SMILES:O=Cc1ccc(cc1)[S](=O)(=O)N2CCc3ccccc23
InChi:InChI=1S/C15H13NO3S/c17-11-12-5-7-14(8-6-12)20(18,19)16-10-9-13-3-1-2-4-15(13)16/h1-8,11H,9-10H2
定義日:2021-03-15
最終更新日:2024-09-27
公開日:2021-06-09
識別子（ID）:4-(2,3-dihydroindol-1-ylsulfonyl)benzaldehyde
NJ3
NJ3
表記:2-chloranyl-1-[3-[(2R,6S)-4-[(4-chlorophenyl)amino]-2,6-dimethyl-oxan-4-yl]carbonyl-3,9-diazaspiro[5.5]undecan-9-yl]ethanone
組成式:C25 H35 Cl2 N3 O3
SMILES:C[CH]1CC(C[CH](C)O1)(Nc2ccc(Cl)cc2)C(=O)N3CCC4(CCN(CC4)C(=O)CCl)CC3
InChi:InChI=1S/C25H35Cl2N3O3/c1-18-15-25(16-19(2)33-18,28-21-5-3-20(27)4-6-21)23(32)30-13-9-24(10-14-30)7-11-29(12-8-24)22(31)17-26/h3-6,18-19,28H,7-17H2,1-2H3/t18-,19+,25+
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-1-[3-[(2~{R},6~{S})-4-[(4-chlorophenyl)amino]-2,6-dimethyl-oxan-4-yl]carbonyl-3,9-diazaspiro[5.5]undecan-9-yl]ethanone
NXU
NXU
表記:(2R,4S)-2-[(1R)-2-hydroxy-1-{[(2-hydroxynaphthalen-1-yl)carbonyl]amino}ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
組成式:C19 H22 N2 O5 S
SMILES:O=C(NC(C1SC(C(N1)C(=O)O)(C)C)CO)c3c2ccccc2ccc3O
InChi:InChI=1S/C19H22N2O5S/c1-19(2)15(18(25)26)21-17(27-19)12(9-22)20-16(24)14-11-6-4-3-5-10(11)7-8-13(14)23/h3-8,12,15,17,21-23H,9H2,1-2H3,(H,20,24)(H,25,26)/t12-,15+,17-/m1/s1
定義日:2014-09-12
最終更新日:2024-09-27
公開日:2014-09-24
識別子（ID）:(2R,4S)-2-[(1R)-2-hydroxy-1-{[(2-hydroxynaphthalen-1-yl)carbonyl]amino}ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
XPL
XPL
表記:N~6~-[(3R,5R)-5-amino-3-methyl-D-prolyl]-L-lysine
組成式:C12 H24 N4 O3
SMILES:O=C(NCCCCC(C(=O)O)N)C1NC(N)CC1C
InChi:InChI=1S/C12H24N4O3/c1-7-6-9(14)16-10(7)11(17)15-5-3-2-4-8(13)12(18)19/h7-10,16H,2-6,13-14H2,1H3,(H,15,17)(H,18,19)/t7-,8+,9-,10-/m1/s1
別名:4-amino reduced pyrrolysine
定義日:2014-07-30
最終更新日:2024-09-27
識別子（ID）:N~6~-[(3R,5R)-5-amino-3-methyl-D-prolyl]-L-lysine
PLP
PLP
表記:PYRIDOXAL-5'-PHOSPHATE
組成式:C8 H10 N O6 P
SMILES:O=P(O)(O)OCc1cnc(c(O)c1C=O)C
InChi:InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
別名:VITAMIN B6 Phosphate
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate
XPM
XPM
表記:tetradecylpropanedioic acid
組成式:C17 H32 O4
SMILES:O=C(O)C(C(=O)O)CCCCCCCCCCCCCC
InChi:InChI=1S/C17H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16(18)19)17(20)21/h15H,2-14H2,1H3,(H,18,19)(H,20,21)
定義日:2011-10-05
最終更新日:2024-09-27
公開日:2012-08-24
識別子（ID）:tetradecylpropanedioic acid
UFP
UFP
表記:5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE
組成式:C9 H12 F N2 O8 P
SMILES:FC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O
InChi:InChI=1S/C9H12FN2O8P/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18)/t5-,6+,7+/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:2'-deoxy-5-fluorouridine 5'-(dihydrogen phosphate)
USW
USW
表記:4-[(7-chloranyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde
組成式:C15 H12 Cl N O4 S
SMILES:Clc1ccc2N(CCOc2c1)[S](=O)(=O)c3ccc(C=O)cc3
InChi:InChI=1S/C15H12ClNO4S/c16-12-3-6-14-15(9-12)21-8-7-17(14)22(19,20)13-4-1-11(10-18)2-5-13/h1-6,9-10H,7-8H2
定義日:2021-03-15
最終更新日:2024-09-27
公開日:2021-06-09
識別子（ID）:4-[(7-chloranyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde
Y33
Y33
表記:(5R)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-5-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid
組成式:C17 H27 N3 O6 S
SMILES:CC1(CC(SC2CC(NC2)C(=O)N(C)C)=C(N1)C(=O)O)C(C(O)C)C(=O)O
InChi:InChI=1S/C17H27N3O6S/c1-8(21)12(15(23)24)17(2)6-11(13(19-17)16(25)26)27-9-5-10(18-7-9)14(22)20(3)4/h8-10,12,18-19,21H,5-7H2,1-4H3,(H,23,24)(H,25,26)/t8-,9+,10+,12+,17-/m1/s1
定義日:2023-01-03
最終更新日:2024-09-27
公開日:2023-10-11
識別子（ID）:(5R)-5-[(1S,2R)-1-carboxy-2-hydroxypropyl]-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid
PLR
PLR
表記:(5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE
組成式:C8 H12 N O5 P
SMILES:O=P(O)(O)OCc1cnc(c(O)c1C)C
InChi:InChI=1S/C8H12NO5P/c1-5-7(4-14-15(11,12)13)3-9-6(2)8(5)10/h3,10H,4H2,1-2H3,(H2,11,12,13)
別名:4'-DEOXYPYRIDOXINE PHOSPHATE
定義日:2003-07-03
最終更新日:2024-09-27
識別子（ID）:(5-hydroxy-4,6-dimethylpyridin-3-yl)methyl dihydrogen phosphate
USX
USX
表記:2-[4-[[(2S)-1-ethanoyl-3-oxidanylidene-2H-indol-2-yl]methyl]-2-methoxy-phenoxy]ethanamide
組成式:C20 H20 N2 O5
SMILES:COc1cc(C[CH]2N(C(C)=O)c3ccccc3C2=O)ccc1OCC(N)=O
InChi:InChI=1S/C20H20N2O5/c1-12(23)22-15-6-4-3-5-14(15)20(25)16(22)9-13-7-8-17(18(10-13)26-2)27-11-19(21)24/h3-8,10,16H,9,11H2,1-2H3,(H2,21,24)/t16-/m0/s1
定義日:2023-06-19
最終更新日:2024-09-27
公開日:2024-06-19
識別子（ID）:2-[4-[[(2~{S})-1-ethanoyl-3-oxidanylidene-2~{H}-indol-2-yl]methyl]-2-methoxy-phenoxy]ethanamide
ZY9
ZY9
表記:6-(aminomethyl)pyridine-2-carboxylic acid
組成式:C7 H8 N2 O2
SMILES:NCc1cccc(n1)C(O)=O
InChi:InChI=1S/C7H8N2O2/c8-4-5-2-1-3-6(9-5)7(10)11/h1-3H,4,8H2,(H,10,11)
定義日:2018-10-24
最終更新日:2024-09-27
公開日:2019-09-18
識別子（ID）:6-(aminomethyl)pyridine-2-carboxylic acid
PLS
PLS
表記:[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE
組成式:C11 H17 N2 O8 P
SMILES:O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)CO
InChi:InChI=1S/C11H17N2O8P/c1-6-10(15)8(3-13-9(4-14)11(16)17)7(2-12-6)5-21-22(18,19)20/h2,9,13-15H,3-5H2,1H3,(H,16,17)(H2,18,19,20)/t9-/m0/s1
別名:PYRIDOXYL-SERINE-5-MONOPHOSPHATE
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-serine
ZYA
ZYA
表記:BENZOYL-TYROSINE-ALANINE-FLUORO-METHYL KETONE
組成式:C21 H23 F N2 O5
SMILES:FCC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)Cc2ccc(O)cc2)C
InChi:InChI=1S/C21H23FN2O5/c1-14(19(26)12-22)23-20(27)18(11-15-7-9-17(25)10-8-15)24-21(28)29-13-16-5-3-2-4-6-16/h2-10,14,18,25H,11-13H2,1H3,(H,23,27)(H,24,28)/t14-,18-/m0/s1
別名:Nalpha-[(benzyloxy)carbonyl]-N-[(2S)-4-fluoro-3-oxobutan-2-yl]-L-tyrosinamide
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:Nalpha-[(benzyloxy)carbonyl]-N-[(2S)-4-fluoro-3-oxobutan-2-yl]-L-tyrosinamide
XPR
XPR
表記:(2S,3aS,6R,7aS)-6-(sulfooxy)octahydro-1H-indole-2-carboxylic acid
組成式:C9 H15 N O6 S
SMILES:O=S(=O)(O)OC1CCC2CC(C(=O)O)NC2C1
InChi:InChI=1S/C9H15NO6S/c11-9(12)8-3-5-1-2-6(4-7(5)10-8)16-17(13,14)15/h5-8,10H,1-4H2,(H,11,12)(H,13,14,15)/t5-,6+,7-,8-/m0/s1
定義日:2010-11-05
最終更新日:2024-09-27
識別子（ID）:(2S,3aS,6R,7aS)-6-(sulfooxy)octahydro-1H-indole-2-carboxylic acid
USZ
USZ
表記:~{N}-(4-~{tert}-butylphenyl)-~{N}-[(1~{R})-2-[2-(3-fluorophenyl)ethylamino]-2-oxidanylidene-1-pyridin-3-yl-ethyl]propanamide
組成式:C28 H32 F N3 O2
SMILES:CCC(=O)N([CH](C(=O)NCCc1cccc(F)c1)c2cccnc2)c3ccc(cc3)C(C)(C)C
InChi:InChI=1S/C28H32FN3O2/c1-5-25(33)32(24-13-11-22(12-14-24)28(2,3)4)26(21-9-7-16-30-19-21)27(34)31-17-15-20-8-6-10-23(29)18-20/h6-14,16,18-19,26H,5,15,17H2,1-4H3,(H,31,34)/t26-/m1/s1
定義日:2021-03-16
最終更新日:2024-09-27
公開日:2021-07-07
識別子（ID）:~{N}-(4-~{tert}-butylphenyl)-~{N}-[(1~{R})-2-[2-(3-fluorophenyl)ethylamino]-2-oxidanylidene-1-pyridin-3-yl-ethyl]propanamide
NY0
NY0
表記:1-(3-oxidanyl-2~{H}-quinoxalin-1-yl)propan-1-one
組成式:C11 H12 N2 O2
SMILES:CCC(=O)N1CC(=Nc2ccccc12)O
InChi:InChI=1S/C11H12N2O2/c1-2-11(15)13-7-10(14)12-8-5-3-4-6-9(8)13/h3-6H,2,7H2,1H3,(H,12,14)
別名:4-prop-2-enoyl-1,3-dihydroquinoxalin-2-one (precursor)
定義日:2022-08-24
最終更新日:2024-09-27
公開日:2022-09-28
識別子（ID）:1-(3-oxidanyl-2~{H}-quinoxalin-1-yl)propan-1-one
UFT
UFT
表記:2'-deoxy-2'-fluorouridine 5'-(dihydrogen phosphate)
組成式:C9 H12 F N2 O8 P
SMILES:O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(F)C2O
InChi:InChI=1S/C9H12FN2O8P/c10-6-7(14)4(3-19-21(16,17)18)20-8(6)12-2-1-5(13)11-9(12)15/h1-2,4,6-8,14H,3H2,(H,11,13,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
定義日:2008-07-07
最終更新日:2024-09-27
識別子（ID）:2'-deoxy-2'-fluorouridine 5'-(dihydrogen phosphate)
A1H2E
A1H2E
表記:1-[(4~{R})-4-azanyl-4-diphenoxyphosphoryl-butyl]guanidine
組成式:C17 H24 N4 O3 P
SMILES:N[CH](CCCNC(N)=[NH2+])[P](=O)(Oc1ccccc1)Oc2ccccc2
InChi:InChI=1S/C17H23N4O3P/c18-16(12-7-13-21-17(19)20)25(22,23-14-8-3-1-4-9-14)24-15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13,18H2,(H4,19,20,21)/p+1/t16-/m1/s1
定義日:2024-01-17
最終更新日:2024-09-27
公開日:2024-01-31
識別子（ID）:[azanyl-[[(4~{R})-4-azanyl-4-diphenoxyphosphoryl-butyl]amino]methylidene]azanium

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