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T8D
T8D
表記:1-{4-[(5-chlorothiophen-2-yl)sulfonyl]piperazin-1-yl}ethan-1-one
組成式:C10 H13 Cl N2 O3 S2
SMILES:N1(CCN(CC1)C(C)=O)S(c2ccc(s2)Cl)(=O)=O
InChi:InChI=1S/C10H13ClN2O3S2/c1-8(14)12-4-6-13(7-5-12)18(15,16)10-3-2-9(11)17-10/h2-3H,4-7H2,1H3
定義日:2020-03-16
最終更新日:2024-09-27
公開日:2020-03-25
識別子（ID）:1-{4-[(5-chlorothiophen-2-yl)sulfonyl]piperazin-1-yl}ethan-1-one
JUG
JUG
表記:5-hydroxynaphthalene-1,4-dione
組成式:C10 H6 O3
SMILES:O=C2c1c(c(O)ccc1)C(=O)C=C2
InChi:InChI=1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H
別名:Juglone
定義日:2007-11-01
最終更新日:2024-09-27
識別子（ID）:5-hydroxynaphthalene-1,4-dione
STE
STE
表記:STEARIC ACID
組成式:C18 H36 O2
SMILES:O=C(O)CCCCCCCCCCCCCCCCC
InChi:InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:octadecanoic acid
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
U1M
U1M
表記:1-{4-[(2,4-dimethylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one
組成式:C14 H20 N2 O3 S
SMILES:N2(CCN(S(c1ccc(cc1C)C)(=O)=O)CC2)C(C)=O
InChi:InChI=1S/C14H20N2O3S/c1-11-4-5-14(12(2)10-11)20(18,19)16-8-6-15(7-9-16)13(3)17/h4-5,10H,6-9H2,1-3H3
定義日:2020-04-08
最終更新日:2024-09-27
公開日:2020-04-15
識別子（ID）:1-{4-[(2,4-dimethylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one
VO6
VO6
表記:[(2~{R},4~{S})-2-[4-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]amino]phenyl]-1,3,2-dithiarsolan-4-yl]methanol
組成式:C12 H15 As N6 O S2
SMILES:Nc1nc(N)nc(Nc2ccc(cc2)[As]3SC[CH](CO)S3)n1
InChi:InChI=1S/C12H15AsN6OS2/c14-10-17-11(15)19-12(18-10)16-8-3-1-7(2-4-8)13-21-6-9(5-20)22-13/h1-4,9,20H,5-6H2,(H5,14,15,16,17,18,19)/t9-,13+/m0/s1
定義日:2023-03-20
最終更新日:2024-09-27
公開日:2024-10-02
識別子（ID）:[(2~{R},4~{S})-2-[4-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]amino]phenyl]-1,3,2-dithiarsolan-4-yl]methanol
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)
IML
IML
表記:N-METHYL-ISOLEUCINE
組成式:C7 H15 N O2
SMILES:O=C(O)C(NC)C(CC)C
InChi:InChI=1S/C7H15NO2/c1-4-5(2)6(8-3)7(9)10/h5-6,8H,4H2,1-3H3,(H,9,10)/t5-,6-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:N-methyl-L-isoleucine
U1O
U1O
表記:N-(9-oxidanylidenethioxanthen-2-yl)ethanamide
組成式:C15 H11 N O2 S
SMILES:CC(=O)Nc1ccc2Sc3ccccc3C(=O)c2c1
InChi:InChI=1S/C15H11NO2S/c1-9(17)16-10-6-7-14-12(8-10)15(18)11-4-2-3-5-13(11)19-14/h2-8H,1H3,(H,16,17)
定義日:2023-05-11
最終更新日:2024-09-27
公開日:2024-07-17
識別子（ID）:~{N}-(9-oxidanylidenethioxanthen-2-yl)ethanamide
VO7
VO7
表記:N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-5-{[4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-4-methoxyphenyl)propanamide
組成式:C27 H31 N7 O2
SMILES:c1c(NC([C@H]=C)=O)c(cc(c1Nc4nc(c2c3c(nc2)cccc3)ccn4)OC)N(C)CCN(C)C
InChi:InChI=1S/C27H31N7O2/c1-6-26(35)30-22-15-23(25(36-5)16-24(22)34(4)14-13-33(2)3)32-27-28-12-11-21(31-27)19-17-29-20-10-8-7-9-18(19)20/h6-12,15-17,29H,1,13-14H2,2-5H3,(H,30,35)(H,28,31,32)
別名:AZ5104
定義日:2020-08-31
最終更新日:2024-09-27
公開日:2021-09-08
識別子（ID）:N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-5-{[4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-4-methoxyphenyl)prop-2-enamide
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
STH
STH
表記:2-AMINO-4H-1,3-BENZOXATHIIN-4-OL
組成式:C8 H9 N O2 S
SMILES:O2c1ccccc1C(O)SC2N
InChi:InChI=1S/C8H9NO2S/c9-8-11-6-4-2-1-3-5(6)7(10)12-8/h1-4,7-8,10H,9H2/t7-,8+/m1/s1
定義日:2004-11-03
最終更新日:2024-09-27
識別子（ID）:(2S,4R)-2-amino-4H-1,3-benzoxathiin-4-ol
ZIN
ZIN
表記:7-(pyridin-2-ylmethyl)quinolin-8-ol
組成式:C15 H12 N2 O
SMILES:Oc1c(ccc2cccnc12)Cc3ncccc3
InChi:InChI=1S/C15H12N2O/c18-15-12(10-13-5-1-2-8-16-13)7-6-11-4-3-9-17-14(11)15/h1-9,18H,10H2
定義日:2009-09-15
最終更新日:2024-09-27
識別子（ID）:7-(pyridin-2-ylmethyl)quinolin-8-ol
U1P
U1P
表記:6-[(E)-iminomethyl]uridine 5'-phosphate
組成式:C10 H14 N3 O9 P
SMILES:O=C1NC(=O)N(C(C=[N@H])=C1)C2OC(C(O)C2O)COP(=O)(O)O
InChi:InChI=1S/C10H14N3O9P/c11-2-4-1-6(14)12-10(17)13(4)9-8(16)7(15)5(22-9)3-21-23(18,19)20/h1-2,5,7-9,11,15-16H,3H2,(H,12,14,17)(H2,18,19,20)/b11-2+/t5-,7-,8-,9-/m1/s1
定義日:2008-10-23
最終更新日:2024-09-27
識別子（ID）:6-[(E)-iminomethyl]uridine 5'-(dihydrogen phosphate)
ZZ7
ZZ7
表記:(2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
組成式:C16 H21 N3 O5 S
SMILES:O=C(NC(C(=O)O)C1SC(C(N1)C(=O)O)(C)C)C(c2ccccc2)N
InChi:InChI=1S/C16H21N3O5S/c1-16(2)11(15(23)24)19-13(25-16)10(14(21)22)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,13,19H,17H2,1-2H3,(H,18,20)(H,21,22)(H,23,24)/t9-,10+,11+,13-/m1/s1
別名:AMPICILLIN (open form)
定義日:2009-06-11
最終更新日:2024-09-27
識別子（ID）:(2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
YF5
YF5
表記:Agmatinamic acid
組成式:C10 H22 N4 O5
SMILES:N[CH](CCCNC(N)=N)[CH](O)C[CH](O)[CH](O)C(O)=O
InChi:InChI=1S/C10H22N4O5/c11-5(2-1-3-14-10(12)13)6(15)4-7(16)8(17)9(18)19/h5-8,15-17H,1-4,11H2,(H,18,19)(H4,12,13,14)/t5-,6+,7+,8-/m1/s1
別名:(2R,3S,5S,6R)-6-azanyl-9-carbamimidamido-2,3,5-tris(oxidanyl)nonanoic acid
定義日:2023-12-04
最終更新日:2024-09-27
公開日:2024-07-24
識別子（ID）:(2~{R},3~{S},5~{S},6~{R})-6-azanyl-9-carbamimidamido-2,3,5-tris(oxidanyl)nonanoic acid
XXY
XXY
表記:2-[(1R,2R)-1-amino-2-hydroxypropyl]-1-(carboxymethyl)-4-(1H-imidazol-5-ylmethyl)-1H-imidazol-5-olate
組成式:C12 H16 N5 O4
SMILES:[O-]c1c(nc(n1CC(=O)O)C(N)C(O)C)Cc2cncn2
InChi:InChI=1S/C12H17N5O4/c1-6(18)10(13)11-16-8(2-7-3-14-5-15-7)12(21)17(11)4-9(19)20/h3,5-6,10,18,21H,2,4,13H2,1H3,(H,14,15)(H,19,20)/p-1/t6-,10+/m1/s1
別名:CHROMOPHORE THR-HIS-GLY
定義日:2006-02-10
最終更新日:2024-09-27
識別子（ID）:2-[(1R,2R)-1-amino-2-hydroxypropyl]-1-(carboxymethyl)-4-(1H-imidazol-5-ylmethyl)-1H-imidazol-5-olate
TN4
TN4
表記:(1R,2S,3S,4R)-4-hydroxy-2-methoxy-4-methyl-3-[(2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]cyclohexyl (chloroacetyl)carbamate
組成式:C19 H30 Cl N O6
SMILES:ClCC(=O)NC(=O)OC2CCC(O)(C(C1(OC1C/C=C(/C)C)C)C2OC)C
InChi:InChI=1S/C19H30ClNO6/c1-11(2)6-7-13-19(4,27-13)16-15(25-5)12(8-9-18(16,3)24)26-17(23)21-14(22)10-20/h6,12-13,15-16,24H,7-10H2,1-5H3,(H,21,22,23)/t12-,13-,15-,16+,18-,19+/m1/s1
別名:TNP-470 (Open form)
定義日:2003-04-24
最終更新日:2024-09-27
識別子（ID）:(1R,2S,3S,4R)-4-hydroxy-2-methoxy-4-methyl-3-[(2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]cyclohexyl (chloroacetyl)carbamate
UT8
UT8
表記:4-[(7-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde
組成式:C16 H15 N O5 S
SMILES:COc1ccc2N(CCOc2c1)[S](=O)(=O)c3ccc(C=O)cc3
InChi:InChI=1S/C16H15NO5S/c1-21-13-4-7-15-16(10-13)22-9-8-17(15)23(19,20)14-5-2-12(11-18)3-6-14/h2-7,10-11H,8-9H2,1H3
定義日:2021-03-17
最終更新日:2024-09-27
公開日:2021-06-09
識別子（ID）:4-[(7-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde
T8J
T8J
表記:1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethan-1-one
組成式:C11 H14 N2 O2 S
SMILES:N1(CCN(CC1)C(C)=O)C(c2cccs2)=O
InChi:InChI=1S/C11H14N2O2S/c1-9(14)12-4-6-13(7-5-12)11(15)10-3-2-8-16-10/h2-3,8H,4-7H2,1H3
定義日:2020-03-16
最終更新日:2024-09-27
公開日:2020-03-25
識別子（ID）:1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethan-1-one
V9M
V9M
表記:(3R)-N-[(1S)-1-carboxy-2-methylpropyl]-N,3,5,5-tetramethylhexan-1-aminium
組成式:C15 H32 N O2
SMILES:C(C(C(C)C)[NH+](CCC(CC(C)(C)C)C)C)(O)=O
InChi:InChI=1S/C15H31NO2/c1-11(2)13(14(17)18)16(7)9-8-12(3)10-15(4,5)6/h11-13H,8-10H2,1-7H3,(H,17,18)/p+1/t12-,13-/m0/s1
定義日:2020-07-21
最終更新日:2024-09-27
公開日:2020-09-16
識別子（ID）:(3R)-N-[(1S)-1-carboxy-2-methylpropyl]-N,3,5,5-tetramethylhexan-1-aminium
U1R
U1R
表記:5-bromo-3-[(naphthalen-2-yl)methoxy]pyridine-2-carbaldehyde
組成式:C17 H12 Br N O2
SMILES:O=Cc1ncc(Br)cc1OCc1cc2ccccc2cc1
InChi:InChI=1S/C17H12BrNO2/c18-15-8-17(16(10-20)19-9-15)21-11-12-5-6-13-3-1-2-4-14(13)7-12/h1-10H,11H2
定義日:2022-08-02
最終更新日:2024-09-27
公開日:2023-06-28
識別子（ID）:5-bromo-3-[(naphthalen-2-yl)methoxy]pyridine-2-carbaldehyde
ZIQ
ZIQ
表記:alpha-methyl-L-tryptophan
組成式:C12 H14 N2 O2
SMILES:NC(C(O)=O)(Cc1cnc2c1cccc2)C
InChi:InChI=1S/C12H14N2O2/c1-12(13,11(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,14H,6,13H2,1H3,(H,15,16)/t12-/m0/s1
定義日:2018-06-13
最終更新日:2024-09-27
公開日:2020-01-01
識別子（ID）:alpha-methyl-L-tryptophan
IMP
IMP
表記:INOSINIC ACID
組成式:C10 H13 N4 O8 P
SMILES:O=C1c2ncn(c2N=CN1)C3OC(C(O)C3O)COP(=O)(O)O
InChi:InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:5'-inosinic acid
T8L
T8L
表記:Thio-phosohothreonine
組成式:C4 H10 N O5 P S
SMILES:C[CH](O[P](O)(S)=O)[CH](N)C(O)=O
InChi:InChI=1S/C4H10NO5PS/c1-2(3(5)4(6)7)10-11(8,9)12/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,12)/t2-,3+/m1/s1
定義日:2017-12-22
最終更新日:2024-09-27
公開日:2018-01-03
識別子（ID）:(2~{S},3~{R})-2-azanyl-3-[oxidanyl(sulfanyl)phosphoryl]oxy-butanoic acid

225946

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