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0M6
0M6
表記:N-[(2S)-1,4-dihydroxybutan-2-yl]-N~2~-(phenylcarbamothioyl)-L-leucinamide
組成式:C17 H27 N3 O3 S
SMILES:S=C(Nc1ccccc1)NC(C(=O)NC(CCO)CO)CC(C)C
InChi:InChI=1S/C17H27N3O3S/c1-12(2)10-15(16(23)18-14(11-22)8-9-21)20-17(24)19-13-6-4-3-5-7-13/h3-7,12,14-15,21-22H,8-11H2,1-2H3,(H,18,23)(H2,19,20,24)/t14-,15-/m0/s1
別名:SNJ-1715, bound form
定義日:2012-02-28
最終更新日:2024-09-27
識別子（ID）:N-[(2S)-1,4-dihydroxybutan-2-yl]-N~2~-(phenylcarbamothioyl)-L-leucinamide
INP
INP
表記:4-[[N-[(PHENYLMETHOXY)CARBONYL]-/NL/N-LEUCYL]AMINO]-1[(2S)-2-[[[4-(PYRIDINYLMETHOXY)CARBONYL]AMINO]-4-METHYLPENT/NYL]-3-PYRROLIDINONE/N
組成式:C31 H43 N5 O6
SMILES:O=C(OCc1ccncc1)NC(C(=O)NC3C(=O)CN(CC(NC(=O)OCc2ccccc2)CC(C)C)C3)CC(C)C
InChi:InChI=1S/C31H43N5O6/c1-21(2)14-25(33-30(39)41-19-23-8-6-5-7-9-23)16-36-17-27(28(37)18-36)34-29(38)26(15-22(3)4)35-31(40)42-20-24-10-12-32-13-11-24/h5-13,21-22,25-27H,14-20H2,1-4H3,(H,33,39)(H,34,38)(H,35,40)/t25-,26-,27+/m0/s1
別名:PYRROLIDINONE
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:N-{(3R)-1-[(2S)-2-{[(benzyloxy)carbonyl]amino}-4-methylpentyl]-4-oxopyrrolidin-3-yl}-N~2~-[(pyridin-4-ylmethoxy)carbonyl]-L-leucinamide
HSK
HSK
表記:3-hydroxy-L-histidine
組成式:C6 H9 N3 O3
SMILES:O=C(O)C(N)Cc1cncn1O
InChi:InChI=1S/C6H9N3O3/c7-5(6(10)11)1-4-2-8-3-9(4)12/h2-3,5,12H,1,7H2,(H,10,11)/t5-/m0/s1
定義日:2014-05-01
最終更新日:2024-09-27
公開日:2014-09-03
識別子（ID）:3-hydroxy-L-histidine
INS
INS
表記:1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE
組成式:C6 H12 O6
SMILES:OC1C(O)C(O)C(O)C(O)C1O
InChi:InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-
別名:MYO-INOSITOL
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:(1R,2S,3r,4R,5S,6s)-cyclohexane-1,2,3,4,5,6-hexol
HSO
HSO
表記:L-histidinol
組成式:C6 H12 N3 O
SMILES:NC(CO)Cc1[nH+]cnc1
InChi:InChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)/p+1/t5-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:4-[(2S)-2-amino-3-hydroxypropyl]-1H-imidazol-3-ium
HSQ
HSQ
表記:2-acetylamino-2-deoxy-alpha-L-idopyranose
組成式:C8 H15 N O6
SMILES:O=C(NC1C(O)C(O)C(OC1O)CO)C
InChi:InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5+,6+,7+,8+/m0/s1
別名:N-acetyl-alpha-L-idosamine
定義日:2009-01-16
最終更新日:2024-09-27
識別子（ID）:2-(acetylamino)-2-deoxy-alpha-L-idopyranose
YGX
YGX
表記:(1~{S},2~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol
組成式:C7 H14 O6
SMILES:OC[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C7H14O6/c8-1-2-3(9)5(11)7(13)6(12)4(2)10/h2-13H,1H2/t2-,3+,4-,5-,6-,7-/m0/s1
定義日:2023-06-15
最終更新日:2024-09-27
公開日:2023-10-04
識別子（ID）:(1~{S},2~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol
0MG
0MG
表記:amino{[(4S)-4-amino-5-carboxy-5-oxopentyl]amino}methaniminium
組成式:C7 H15 N4 O3
SMILES:O=C(C(=O)O)C(N)CCCNC(=[NH2+])N
InChi:InChI=1S/C7H14N4O3/c8-4(5(12)6(13)14)2-1-3-11-7(9)10/h4H,1-3,8H2,(H,13,14)(H4,9,10,11)/p+1/t4-/m0/s1
定義日:2010-09-24
最終更新日:2024-09-27
識別子（ID）:amino{[(4S)-4-amino-5-carboxy-5-oxopentyl]amino}methaniminium
HSV
HSV
表記:L-histidinal
組成式:C6 H10 N3 O
SMILES:NC(C=O)Cc1[nH+]cnc1
InChi:InChI=1S/C6H9N3O/c7-5(3-10)1-6-2-8-4-9-6/h2-5H,1,7H2,(H,8,9)/p+1/t5-/m0/s1
定義日:2015-06-17
最終更新日:2024-09-27
識別子（ID）:4-[(2S)-2-amino-3-oxopropyl]-1H-imidazol-3-ium
HSX
HSX
表記:5-O-phosphono-alpha-D-ribofuranose
組成式:C5 H11 O8 P
SMILES:O=P(O)(O)OCC1OC(O)C(O)C1O
InChi:InChI=1S/C5H11O8P/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5+/m1/s1
別名:5-O-phosphono-alpha-D-ribose
定義日:2009-01-16
最終更新日:2024-09-27
識別子（ID）:5-O-phosphono-alpha-D-ribofuranose
HSY
HSY
表記:alpha-L-xylopyranose
組成式:C5 H10 O5
SMILES:OC1C(O)COC(O)C1O
InChi:InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5+/m0/s1
別名:alpha-L-xylose
定義日:2009-01-16
最終更新日:2024-09-27
識別子（ID）:alpha-L-xylopyranose
HT0
HT0
表記:(4R,5R)-5-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidine-4-carboxylic acid
組成式:C10 H9 N O5
SMILES:O=C(O)C1NC(=O)OC1c1ccc(O)cc1
InChi:InChI=1S/C10H9NO5/c12-6-3-1-5(2-4-6)8-7(9(13)14)11-10(15)16-8/h1-4,7-8,12H,(H,11,15)(H,13,14)/t7-,8-/m1/s1
定義日:2021-03-10
最終更新日:2024-09-27
公開日:2022-12-07
識別子（ID）:(4R,5R)-5-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidine-4-carboxylic acid
YHA
YHA
表記:Homocitrulline
組成式:C7 H15 N3 O3
SMILES:NC(CCCCNC(N)=O)C(=O)O
InChi:InChI=1S/C7H15N3O3/c8-5(6(11)12)3-1-2-4-10-7(9)13/h5H,1-4,8H2,(H,11,12)(H3,9,10,13)/t5-/m0/s1
別名:N~6~-carbamoyl-L-lysine
定義日:2021-03-04
最終更新日:2024-09-27
公開日:2022-05-25
識別子（ID）:N~6~-carbamoyl-L-lysine
IO8
IO8
表記:2-[2-(aminomethyl)-4-(1H-indol-3-ylmethyl)-5-oxidanylidene-4H-imidazol-1-yl]ethanoic acid
組成式:C15 H14 N4 O3
SMILES:NCC1=NC(=Cc2c[nH]c3ccccc23)C(=O)N1CC(O)=O
InChi:InChI=1S/C15H14N4O3/c16-6-13-18-12(15(22)19(13)8-14(20)21)5-9-7-17-11-4-2-1-3-10(9)11/h1-5,7,17H,6,8,16H2,(H,20,21)/b12-5-
別名:CHROMOPHORE (GLY-TRP-GLY)
定義日:2022-04-01
最終更新日:2024-09-27
公開日:2022-05-04
識別子（ID）:2-[(4~{Z})-2-(aminomethyl)-4-(1~{H}-indol-3-ylmethylidene)-5-oxidanylidene-imidazol-1-yl]ethanoic acid
YHD
YHD
表記:N-[(1R)-2-([1,1'-biphenyl]-4-yl)-1-boronoethyl]-1-methyl-L-prolinamide
組成式:C20 H25 B N2 O3
SMILES:O=C(NC(Cc1ccc(cc1)c1ccccc1)B(O)O)C1CCCN1C
InChi:InChI=1S/C20H25BN2O3/c1-23-13-5-8-18(23)20(24)22-19(21(25)26)14-15-9-11-17(12-10-15)16-6-3-2-4-7-16/h2-4,6-7,9-12,18-19,25-26H,5,8,13-14H2,1H3,(H,22,24)/t18-,19-/m0/s1
定義日:2021-03-08
最終更新日:2024-09-27
公開日:2021-09-22
識別子（ID）:N-[(1R)-2-([1,1'-biphenyl]-4-yl)-1-boronoethyl]-1-methyl-L-prolinamide
HT7
HT7
表記:(3S)-3-AMINO-4-(1H-INDOL-3-YL)BUTANOIC ACID
組成式:C12 H14 N2 O2
SMILES:O=C(O)CC(N)Cc2c1ccccc1nc2
InChi:InChI=1S/C12H14N2O2/c13-9(6-12(15)16)5-8-7-14-11-4-2-1-3-10(8)11/h1-4,7,9,14H,5-6,13H2,(H,15,16)/t9-/m0/s1
別名:BETA-HOMOTRYPTOPHAN
定義日:2011-05-18
最終更新日:2024-09-27
識別子（ID）:(3S)-3-amino-4-(1H-indol-3-yl)butanoic acid
0MU
0MU
表記:(2R)-5-(acetyloxymethyl)-2-[(1R)-1-[[(5R)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexanoyl]amino]-2-oxidanylidene-ethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
組成式:C16 H23 N3 O8 S
SMILES:CC(=O)OC[CH]1CS[CH](N=C1C(O)=O)[CH](NC(=O)CCC[CH](N)C(O)=O)C=O
InChi:InChI=1S/C16H23N3O8S/c1-8(21)27-6-9-7-28-14(19-13(9)16(25)26)11(5-20)18-12(22)4-2-3-10(17)15(23)24/h5,9-11,14H,2-4,6-7,17H2,1H3,(H,18,22)(H,23,24)(H,25,26)/t9-,10+,11+,14+/m0/s1
別名:CEPHALOSPORIN C, bound form
定義日:2012-03-05
最終更新日:2024-09-27
公開日:2017-07-12
識別子（ID）:(2R)-5-(acetyloxymethyl)-2-[(1R)-1-[[(5R)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexanoyl]amino]-2-oxidanylidene-ethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
YHI
YHI
表記:benzyl (1R,2S,5S)-2-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate
組成式:C23 H31 N3 O5
SMILES:O=C1NCCC1CC(CO)NC(=O)C1C2C(CN1C(=O)OCc1ccccc1)C2(C)C
InChi:InChI=1S/C23H31N3O5/c1-23(2)17-11-26(22(30)31-13-14-6-4-3-5-7-14)19(18(17)23)21(29)25-16(12-27)10-15-8-9-24-20(15)28/h3-7,15-19,27H,8-13H2,1-2H3,(H,24,28)(H,25,29)/t15-,16-,17-,18-,19-/m0/s1
定義日:2021-03-08
最終更新日:2024-09-27
公開日:2021-03-17
識別子（ID）:benzyl (1R,2S,5S)-2-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate
YHJ
YHJ
表記:benzyl (1S,3aR,6aS)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate
組成式:C23 H31 N3 O5
SMILES:O=C1NCCC1CC(CO)NC(=O)C1C2CCCC2CN1C(=O)OCc1ccccc1
InChi:InChI=1S/C23H31N3O5/c27-13-18(11-16-9-10-24-21(16)28)25-22(29)20-19-8-4-7-17(19)12-26(20)23(30)31-14-15-5-2-1-3-6-15/h1-3,5-6,16-20,27H,4,7-14H2,(H,24,28)(H,25,29)/t16-,17-,18-,19-,20-/m0/s1
定義日:2021-03-08
最終更新日:2024-09-27
公開日:2021-03-17
識別子（ID）:benzyl (1S,3aR,6aS)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate
0N3
0N3
表記:3-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid
組成式:C9 H12 B N O6 S
SMILES:O=S(=O)(NCB(O)O)Cc1cccc(c1)C(=O)O
InChi:InChI=1S/C9H12BNO6S/c12-9(13)8-3-1-2-7(4-8)5-18(16,17)11-6-10(14)15/h1-4,11,14-15H,5-6H2,(H,12,13)
定義日:2012-03-13
最終更新日:2024-09-27
公開日:2012-09-21
識別子（ID）:3-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid
0N4
0N4
表記:[({[4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid
組成式:C8 H10 B N5 O4 S
SMILES:O=S(=O)(c2ccc(c1nnnn1)cc2)NCB(O)O
InChi:InChI=1S/C8H10BN5O4S/c15-9(16)5-10-19(17,18)7-3-1-6(2-4-7)8-11-13-14-12-8/h1-4,10,15-16H,5H2,(H,11,12,13,14)
定義日:2012-03-13
最終更新日:2024-09-27
公開日:2012-09-21
識別子（ID）:[({[4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid
0NA
0NA
表記:[({[6-(1H-tetrazol-5-yl)pyridin-3-yl]sulfonyl}amino)methyl]boronic acid
組成式:C7 H9 B N6 O4 S
SMILES:O=S(=O)(c2cnc(c1nnnn1)cc2)NCB(O)O
InChi:InChI=1S/C7H9BN6O4S/c15-8(16)4-10-19(17,18)5-1-2-6(9-3-5)7-11-13-14-12-7/h1-3,10,15-16H,4H2,(H,11,12,13,14)
定義日:2012-03-16
最終更新日:2024-09-27
公開日:2012-09-21
識別子（ID）:[({[6-(1H-tetrazol-5-yl)pyridin-3-yl]sulfonyl}amino)methyl]boronic acid
0NB
0NB
表記:[({[3-chloro-4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid
組成式:C8 H9 B Cl N5 O4 S
SMILES:O=S(=O)(c2cc(Cl)c(c1nnnn1)cc2)NCB(O)O
InChi:InChI=1S/C8H9BClN5O4S/c10-7-3-5(20(18,19)11-4-9(16)17)1-2-6(7)8-12-14-15-13-8/h1-3,11,16-17H,4H2,(H,12,13,14,15)
定義日:2012-03-16
最終更新日:2024-09-27
公開日:2012-09-21
識別子（ID）:[({[3-chloro-4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid
0NC
0NC
表記:N-methyl-L-alaninamide
組成式:C4 H10 N2 O
SMILES:O=C(NC)C(N)C
InChi:InChI=1S/C4H10N2O/c1-3(5)4(7)6-2/h3H,5H2,1-2H3,(H,6,7)/t3-/m0/s1
定義日:2008-03-31
最終更新日:2024-09-27
識別子（ID）:N-methyl-L-alaninamide
0ND
0ND
表記:[({[2-chloro-4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid
組成式:C8 H9 B Cl N5 O4 S
SMILES:O=S(=O)(c2c(Cl)cc(c1nnnn1)cc2)NCB(O)O
InChi:InChI=1S/C8H9BClN5O4S/c10-6-3-5(8-12-14-15-13-8)1-2-7(6)20(18,19)11-4-9(16)17/h1-3,11,16-17H,4H2,(H,12,13,14,15)
定義日:2012-03-16
最終更新日:2024-09-27
公開日:2012-09-21
識別子（ID）:[({[2-chloro-4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid

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