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UCY
UCY
表記:(1S)-2,2-dimethylcyclopentyl (R)-methylphosphinate
組成式:C8 H17 O2 P
SMILES:CP(=O)OC1C(C)(CCC1)C
InChi:InChI=1S/C8H17O2P/c1-8(2)6-4-5-7(8)10-11(3)9/h7,11H,4-6H2,1-3H3/t7-/m0/s1
別名:2,2-dimethylcyclopentyl methylphosphinate
定義日:2020-05-07
最終更新日:2024-09-27
公開日:2021-02-17
識別子（ID）:(1S)-2,2-dimethylcyclopentyl (R)-methylphosphinate
UDI
UDI
表記:butane-1,4-dithiol
組成式:C4 H10 S2
SMILES:SCCCCS
InChi:InChI=1S/C4H10S2/c5-3-1-2-4-6/h5-6H,1-4H2
別名:1,2-dithiane 1-oxide (reacted)
定義日:2023-02-01
最終更新日:2024-09-27
公開日:2023-12-13
識別子（ID）:butane-1,4-dithiol
J2C
J2C
表記:8-(2-chloroacetyl)-4-(furan-2-ylmethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
組成式:C14 H17 Cl N2 O3 S
SMILES:ClCC(=O)N1CCC2(CC1)SCC(=O)N2Cc3occc3
InChi:InChI=1S/C14H17ClN2O3S/c15-8-12(18)16-5-3-14(4-6-16)17(13(19)10-21-14)9-11-2-1-7-20-11/h1-2,7H,3-6,8-10H2
定義日:2021-03-24
最終更新日:2024-09-27
公開日:2022-02-16
識別子（ID）:8-(2-chloranylethanoyl)-4-(furan-2-ylmethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
UDP
UDP
表記:URIDINE-5'-DIPHOSPHATE
組成式:C9 H14 N2 O12 P2
SMILES:O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O
InChi:InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:uridine 5'-(trihydrogen diphosphate)
J2F
J2F
表記:(2~{S})-2-azanyl-3-[4-[(2-nitrophenyl)methoxy]phenyl]propanoic acid
組成式:C16 H16 N2 O5
SMILES:N[CH](Cc1ccc(OCc2ccccc2[N+]([O-])=O)cc1)C(O)=O
InChi:InChI=1S/C16H16N2O5/c17-14(16(19)20)9-11-5-7-13(8-6-11)23-10-12-3-1-2-4-15(12)18(21)22/h1-8,14H,9-10,17H2,(H,19,20)/t14-/m0/s1
定義日:2022-08-04
最終更新日:2024-09-27
公開日:2022-09-21
識別子（ID）:(2~{S})-2-azanyl-3-[4-[(2-nitrophenyl)methoxy]phenyl]propanoic acid
UE1
UE1
表記:(4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-1-[({4-[(2R)-2,3-dihydroxypropyl]-3-(4,5-dihydroxypyridin-2-yl)-5-oxo-4,5-dihydro- 1H-1,2,4-triazol-1-yl}sulfonyl)amino]-4-formyl-10,10-dimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oate
組成式:C23 H27 N10 O13 S2
SMILES:O=C1N(C(=NN1S(=O)(=O)NC(=O)NCC(C=O)NC(=O)C(=NOC(C([O-])=O)(C)C)/c2nc(sc2)N)c3ncc(O)c(O)c3)CC(O)CO
InChi:InChI=1S/C23H28N10O13S2/c1-23(2,19(40)41)46-30-16(13-9-47-20(24)28-13)18(39)27-10(7-34)4-26-21(42)31-48(44,45)33-22(43)32(6-11(36)8-35)17(29-33)12-3-14(37)15(38)5-25-12/h3,5,7,9-11,35-36,38H,4,6,8H2,1-2H3,(H2,24,28)(H,25,37)(H,27,39)(H,40,41)(H2,26,31,42)/p-1/b30-16-/t10-,11+/m0/s1
別名:MC-1 (open form)
定義日:2011-11-14
最終更新日:2024-09-27
識別子（ID）:(4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-1-[({4-[(2R)-2,3-dihydroxypropyl]-3-(4,5-dihydroxypyridin-2-yl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-4-formyl-10,10-dimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oate
J30
J30
表記:4-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-4-oxobutane-1-thiol
組成式:C19 H24 N2 O S
SMILES:O=C(N3CCN(Cc1cccc2c1cccc2)CC3)CCCS
InChi:InChI=1S/C19H24N2OS/c22-19(9-4-14-23)21-12-10-20(11-13-21)15-17-7-3-6-16-5-1-2-8-18(16)17/h1-3,5-8,23H,4,9-15H2
定義日:2010-09-14
最終更新日:2024-09-27
識別子（ID）:1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-4-sulfanylbutan-1-one
UED
UED
表記:N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
組成式:C21 H31 N3 O5
SMILES:C(OC(=O)NC(C(NC(CO)CC1C(NCC1)=O)=O)CC(C)C)c2ccccc2
InChi:InChI=1S/C21H31N3O5/c1-14(2)10-18(24-21(28)29-13-15-6-4-3-5-7-15)20(27)23-17(12-25)11-16-8-9-22-19(16)26/h3-7,14,16-18,25H,8-13H2,1-2H3,(H,22,26)(H,23,27)(H,24,28)/t16-,17-,18-/m0/s1
別名:GC373 bound form, GC376 bound form
定義日:2020-05-11
最終更新日:2024-09-27
公開日:2020-05-20
識別子（ID）:N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
UEG
UEG
表記:4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol
組成式:C8 H11 N O3
SMILES:Oc1c(c(cnc1C)CO)CO
InChi:InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3
定義日:2013-09-12
最終更新日:2024-09-27
公開日:2014-03-19
識別子（ID）:4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol
J3D
J3D
表記:N-carboxy-L-cysteine
組成式:C4 H7 N O4 S
SMILES:C(S)C(C(O)=O)NC(=O)O
InChi:InChI=1S/C4H7NO4S/c6-3(7)2(1-10)5-4(8)9/h2,5,10H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1
定義日:2018-08-06
最終更新日:2024-09-27
公開日:2019-08-07
識別子（ID）:N-carboxy-L-cysteine
UEP
UEP
表記:6-ethyluridine 5'-phosphate
組成式:C11 H17 N2 O9 P
SMILES:O=C1NC(=O)N(C(=C1)CC)C2OC(C(O)C2O)COP(=O)(O)O
InChi:InChI=1S/C11H17N2O9P/c1-2-5-3-7(14)12-11(17)13(5)10-9(16)8(15)6(22-10)4-21-23(18,19)20/h3,6,8-10,15-16H,2,4H2,1H3,(H,12,14,17)(H2,18,19,20)/t6-,8-,9-,10-/m1/s1
別名:6-ethyl-UMP
定義日:2008-10-23
最終更新日:2024-09-27
識別子（ID）:6-ethyluridine 5'-(dihydrogen phosphate)
J3H
J3H
表記:1-[(3~{R})-3-(4-azanylpyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]propan-1-one
組成式:C13 H18 N6 O
SMILES:CCC(=O)N1CCC[CH](C1)n2ncc3c(N)ncnc23
InChi:InChI=1S/C13H18N6O/c1-2-11(20)18-5-3-4-9(7-18)19-13-10(6-17-19)12(14)15-8-16-13/h6,8-9H,2-5,7H2,1H3,(H2,14,15,16)/t9-/m1/s1
定義日:2019-01-17
最終更新日:2024-09-27
公開日:2019-05-22
識別子（ID）:1-[(3~{R})-3-(4-azanylpyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]propan-1-one
J3K
J3K
表記:(2~{R})-1-azanylpropan-2-ol
組成式:C3 H9 N O
SMILES:C[CH](O)CN
InChi:InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3/t3-/m1/s1
定義日:2019-01-17
最終更新日:2024-09-27
公開日:2020-04-15
識別子（ID）:(2~{R})-1-azanylpropan-2-ol
J3N
J3N
表記:1-[(3~{R})-3-[4-azanyl-3-(1~{H}-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one
組成式:C20 H22 N8 O
SMILES:CCC(=O)N1CCC[CH](C1)n2nc(c3cnc4[nH]ccc4c3)c5c(N)ncnc25
InChi:InChI=1S/C20H22N8O/c1-2-15(29)27-7-3-4-14(10-27)28-20-16(18(21)24-11-25-20)17(26-28)13-8-12-5-6-22-19(12)23-9-13/h5-6,8-9,11,14H,2-4,7,10H2,1H3,(H,22,23)(H2,21,24,25)/t14-/m1/s1
定義日:2019-01-18
最終更新日:2024-09-27
公開日:2019-05-22
識別子（ID）:1-[(3~{R})-3-[4-azanyl-3-(1~{H}-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one
UF0
UF0
表記:O-[(R)-hydroxy{[(3R)-3-hydroxy-4-{[3-({2-[(hydroxyacetyl)amino]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl]oxy}phosphoryl]-L-serine
組成式:C16 H31 N4 O11 P
SMILES:CC(C)(CO[P](O)(=O)OC[CH](N)C(O)=O)[CH](O)C(=O)NCCC(=O)NCCNC(=O)CO
InChi:InChI=1S/C16H31N4O11P/c1-16(2,9-31-32(28,29)30-8-10(17)15(26)27)13(24)14(25)20-4-3-11(22)18-5-6-19-12(23)7-21/h10,13,21,24H,3-9,17H2,1-2H3,(H,18,22)(H,19,23)(H,20,25)(H,26,27)(H,28,29)/t10-,13-/m0/s1
定義日:2009-11-20
最終更新日:2024-09-27
識別子（ID）:(2S)-2-azanyl-3-[hydroxy-[(3R)-3-hydroxy-4-[[3-[2-(2-hydroxyethanoylamino)ethylamino]-3-oxo-propyl]amino]-2,2-dimethyl-4-oxo-butoxy]phosphoryl]oxy-propanoic acid
J3T
J3T
表記:[4-[(4~{S})-4-oxidanyl-5-oxidanylidene-1,3,2-dioxaborolan-2-yl]phenyl]methyl carbamimidothioate
組成式:C10 H11 B N2 O4 S
SMILES:NC(=N)SCc1ccc(cc1)B2O[CH](O)C(=O)O2
InChi:InChI=1S/C10H11BN2O4S/c12-10(13)18-5-6-1-3-7(4-2-6)11-16-8(14)9(15)17-11/h1-4,8,14H,5H2,(H3,12,13)/t8-/m0/s1
定義日:2019-01-18
最終更新日:2024-09-27
公開日:2020-02-05
識別子（ID）:[4-[(4~{S})-4-oxidanyl-5-oxidanylidene-1,3,2-dioxaborolan-2-yl]phenyl]methyl carbamimidothioate
J3X
J3X
表記:4-((5-bromofuran-2-yl)methyl)-8-(2-chloroacetyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
組成式:C14 H16 Br Cl N2 O3 S
SMILES:ClCC(=O)N1CCC2(CC1)SCC(=O)N2Cc3oc(Br)cc3
InChi:InChI=1S/C14H16BrClN2O3S/c15-11-2-1-10(21-11)8-18-13(20)9-22-14(18)3-5-17(6-4-14)12(19)7-16/h1-2H,3-9H2
定義日:2021-04-02
最終更新日:2024-09-27
公開日:2022-02-16
識別子（ID）:4-[(5-bromanylfuran-2-yl)methyl]-8-(2-chloranylethanoyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
UFH
UFH
表記:2-bromanyl-4-imidazol-1-yl-benzaldehyde
組成式:C10 H7 Br N2 O
SMILES:Brc1cc(ccc1C=O)n2ccnc2
InChi:InChI=1S/C10H7BrN2O/c11-10-5-9(2-1-8(10)6-14)13-4-3-12-7-13/h1-7H
定義日:2021-02-12
最終更新日:2024-09-27
公開日:2021-06-16
識別子（ID）:2-bromanyl-4-imidazol-1-yl-benzaldehyde
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)
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)
UFY
UFY
表記:N-[(1R)-1-borono-3-methylbutyl]-Nalpha-(pyrazine-2-carbonyl)-D-phenylalaninamide
組成式:C19 H25 B N4 O4
SMILES:c1cncc(n1)C(NC(Cc2ccccc2)C(=O)NC(CC(C)C)B(O)O)=O
InChi:InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17+/m1/s1
定義日:2020-05-15
最終更新日:2024-09-27
公開日:2021-04-14
識別子（ID）:N-[(1R)-1-borono-3-methylbutyl]-Nalpha-(pyrazine-2-carbonyl)-D-phenylalaninamide
UG5
UG5
表記:4-[4-(trifluoromethyl)imidazol-1-yl]benzaldehyde
組成式:C11 H7 F3 N2 O
SMILES:FC(F)(F)c1cn(cn1)c2ccc(C=O)cc2
InChi:InChI=1S/C11H7F3N2O/c12-11(13,14)10-5-16(7-15-10)9-3-1-8(6-17)2-4-9/h1-7H
定義日:2021-02-16
最終更新日:2024-09-27
公開日:2021-06-16
識別子（ID）:4-[4-(trifluoromethyl)imidazol-1-yl]benzaldehyde
J4W
J4W
表記:tert-butyl (1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)carbamate
組成式:C12 H16 B N O4
SMILES:O=C(Nc1cc2c(cc1)COB2O)OC(C)(C)C
InChi:InChI=1S/C12H16BNO4/c1-12(2,3)18-11(15)14-9-5-4-8-7-17-13(16)10(8)6-9/h4-6,16H,7H2,1-3H3,(H,14,15)
定義日:2016-09-28
最終更新日:2024-09-27
公開日:2017-01-11
識別子（ID）:tert-butyl (1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)carbamate
J50
J50
表記:8-(2-chloroacetyl)-4-((5-phenylfuran-2-yl)methyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
組成式:C20 H21 Cl N2 O3 S
SMILES:ClCC(=O)N1CCC2(CC1)SCC(=O)N2Cc3oc(cc3)c4ccccc4
InChi:InChI=1S/C20H21ClN2O3S/c21-12-18(24)22-10-8-20(9-11-22)23(19(25)14-27-20)13-16-6-7-17(26-16)15-4-2-1-3-5-15/h1-7H,8-14H2
定義日:2021-04-09
最終更新日:2024-09-27
公開日:2022-02-16
識別子（ID）:8-(2-chloranylethanoyl)-4-[(5-phenylfuran-2-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one
J51
J51
表記:benzyl acetylcarbamate
組成式:C10 H11 N O3
SMILES:N(C(OCc1ccccc1)=O)C(C)=O
InChi:InChI=1S/C10H11NO3/c1-8(12)11-10(13)14-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,11,12,13)
定義日:2018-08-13
最終更新日:2024-09-27
公開日:2019-12-18
識別子（ID）:benzyl acetylcarbamate

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