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HQ8
HQ8
表記:(1~{R},2~{S},4~{S},5~{R})-cyclohexane-1,2,3,4,5-pentol
組成式:C6 H12 O5
SMILES:O[CH]1C[CH](O)[CH](O)C(O)[CH]1O
InChi:InChI=1S/C6H12O5/c7-2-1-3(8)5(10)6(11)4(2)9/h2-11H,1H2/t2-,3-,4+,5+/m1/s1
定義日:2018-12-15
最終更新日:2024-09-27
公開日:2019-06-05
識別子（ID）:(1~{R},2~{S},4~{S},5~{R})-cyclohexane-1,2,3,4,5-pentol
HQA
HQA
表記:3-(8-hydroxyquinolin-3-yl)-L-alanine
組成式:C12 H12 N2 O3
SMILES:O=C(O)C(N)Cc1cc2cccc(O)c2nc1
InChi:InChI=1S/C12H12N2O3/c13-9(12(16)17)5-7-4-8-2-1-3-10(15)11(8)14-6-7/h1-4,6,9,15H,5,13H2,(H,16,17)/t9-/m0/s1
定義日:2008-12-10
最終更新日:2024-09-27
識別子（ID）:3-(8-hydroxyquinolin-3-yl)-L-alanine
HQC
HQC
表記:3-{6-[(8-HYDROXY-QUINOLINE-2-CARBONYL)-AMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-4-OXO-BUTYRI ACID
組成式:C24 H25 N3 O6 S
SMILES:O=C(O)CC(C=O)NC(=O)C(c1sccc1)CCCCNC(=O)c2nc3c(cc2)cccc3O
InChi:InChI=1S/C24H25N3O6S/c28-14-16(13-21(30)31)26-23(32)17(20-8-4-12-34-20)6-1-2-11-25-24(33)18-10-9-15-5-3-7-19(29)22(15)27-18/h3-5,7-10,12,14,16-17,29H,1-2,6,11,13H2,(H,25,33)(H,26,32)(H,30,31)/t16-,17-/m0/s1
定義日:2004-01-09
最終更新日:2024-09-27
識別子（ID）:(3S)-3-{[(2R)-6-{[(8-hydroxyquinolin-2-yl)carbonyl]amino}-2-thiophen-2-ylhexanoyl]amino}-4-oxobutanoic acid
HQE
HQE
表記:benzene-1,4-diol
組成式:C6 H6 O2
SMILES:Oc1ccc(O)cc1
InChi:InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H
定義日:2012-03-14
最終更新日:2024-09-27
識別子（ID）:benzene-1,4-diol
HQU
HQU
表記:3-HYDROXYQUINALDIC ACID
組成式:C10 H7 N O3
SMILES:O=C(O)c1nc2ccccc2cc1O
InChi:InChI=1S/C10H7NO3/c12-8-5-6-3-1-2-4-7(6)11-9(8)10(13)14/h1-5,12H,(H,13,14)
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:3-hydroxyquinoline-2-carboxylic acid
HQV
HQV
表記:(2S,3R,4R,5S,6R)-3-[(2E)-but-2-enoylamino]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
組成式:C19 H29 N3 O16 P2 S
SMILES:C(C2C(C(C(N1C=CC(=O)NC1=O)O2)O)O)OP(OP(OC3C(C(O)C(O)C(CO)S3)NC([C@H]=CC)=O)(O)=O)(=O)O
InChi:InChI=1S/C19H29N3O16P2S/c1-2-3-10(24)20-12-15(28)14(27)9(6-23)41-18(12)37-40(33,34)38-39(31,32)35-7-8-13(26)16(29)17(36-8)22-5-4-11(25)21-19(22)30/h2-5,8-9,12-18,23,26-29H,6-7H2,1H3,(H,20,24)(H,31,32)(H,33,34)(H,21,25,30)/b3-2+/t8-,9-,12-,13-,14-,15-,16-,17-,18+/m1/s1
定義日:2018-07-18
最終更新日:2024-09-27
公開日:2019-11-06
識別子（ID）:(2S,3R,4R,5S,6R)-3-[(2E)-but-2-enoylamino]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
HQY
HQY
表記:quinolin-8-ol
組成式:C9 H7 N O
SMILES:Oc1cccc2cccnc12
InChi:InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H
別名:8-hydroxyquinoline
定義日:2009-10-28
最終更新日:2024-09-27
識別子（ID）:quinolin-8-ol
HQZ
HQZ
表記:trihydroxy{(1S)-1-[(methylsulfonyl)amino]ethyl}borate(1-)
組成式:C3 H11 B N O5 S
SMILES:O=S(=O)(NC([B-](O)(O)O)C)C
InChi:InChI=1S/C3H11BNO5S/c1-3(4(6,7)8)5-11(2,9)10/h3,5-8H,1-2H3/q-1/t3-/m1/s1
定義日:2012-08-01
最終更新日:2024-09-27
公開日:2013-08-21
識別子（ID）:trihydroxy{(1S)-1-[(methylsulfonyl)amino]ethyl}borate(1-)
2TL
2TL
表記:D-allothreonine
組成式:C4 H9 N O3
SMILES:O=C(O)C(N)C(O)C
InChi:InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3-/m1/s1
定義日:2008-06-03
最終更新日:2024-09-27
識別子（ID）:D-allothreonine
HR7
HR7
表記:(3S)-3-amino-6-[(diaminomethylidene)amino]hexanoic acid
組成式:C7 H16 N4 O2
SMILES:O=C(O)CC(N)CCC/N=C(N)N
InChi:InChI=1S/C7H16N4O2/c8-5(4-6(12)13)2-1-3-11-7(9)10/h5H,1-4,8H2,(H,12,13)(H4,9,10,11)
別名:BETA-HOMOARGININE
定義日:2011-05-18
最終更新日:2024-09-27
識別子（ID）:(3S)-3-amino-6-[(diaminomethylidene)amino]hexanoic acid
2TV
2TV
表記:(2R,5Z)-5-[(acetyloxy)methylidene]-2-[(1R)-1-(formylamino)-2-oxoethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
組成式:C11 H12 N2 O6 S
SMILES:O=CC(NC=O)C1N=C(C(=COC(=O)C)CS1)C(=O)O
InChi:InChI=1S/C11H12N2O6S/c1-6(16)19-3-7-4-20-10(8(2-14)12-5-15)13-9(7)11(17)18/h2-3,5,8,10H,4H2,1H3,(H,12,15)(H,17,18)/b7-3+/t8-,10-/m1/s1
別名:N-formyl 7-aminocephalosporanic acid, bound form
定義日:2014-01-30
最終更新日:2024-09-27
公開日:2014-05-28
識別子（ID）:(2R,5Z)-5-[(acetyloxy)methylidene]-2-[(1R)-1-(formylamino)-2-oxoethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
HRG
HRG
表記:L-HOMOARGININE
組成式:C7 H16 N4 O2
SMILES:O=C(O)C(N)CCCCNC(=[N@H])N
InChi:InChI=1S/C7H16N4O2/c8-5(6(12)13)3-1-2-4-11-7(9)10/h5H,1-4,8H2,(H,12,13)(H4,9,10,11)/t5-/m0/s1
定義日:1999-12-16
最終更新日:2024-09-27
識別子（ID）:N~6~-carbamimidoyl-L-lysine
2TY
2TY
表記:2-HYDROXY-5-{[(1E)-2-PHENYLETHYLIDENE]AMINO}-L-TYROSINE
組成式:C17 H18 N2 O4
SMILES:O=C(O)C(N)Cc2cc(N=CCc1ccccc1)c(O)cc2O
InChi:InChI=1S/C17H18N2O4/c18-13(17(22)23)8-12-9-14(16(21)10-15(12)20)19-7-6-11-4-2-1-3-5-11/h1-5,7,9-10,13,20-21H,6,8,18H2,(H,22,23)/b19-7+/t13-/m0/s1
定義日:2005-07-07
最終更新日:2024-09-27
識別子（ID）:2-hydroxy-5-{[(1E)-2-phenylethylidene]amino}-L-tyrosine
2U2
2U2
表記:(2E)-2-({[(2S)-2-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)methoxy]imino}acetyl]amino}-3-oxopropyl]oxy}imino)pentanedioic acid
組成式:C19 H20 N6 O11 S
SMILES:O=C(O)C(=NOCC(C=O)NC(=O)C(=NOCC1=CC(=O)C(O)=CN1O)/c2nc(sc2)N)CCC(=O)O
InChi:InChI=1S/C19H20N6O11S/c20-19-22-12(8-37-19)16(24-36-7-10-3-13(27)14(28)4-25(10)34)17(31)21-9(5-26)6-35-23-11(18(32)33)1-2-15(29)30/h3-5,8-9,28,34H,1-2,6-7H2,(H2,20,22)(H,21,31)(H,29,30)(H,32,33)/b23-11+,24-16-/t9-/m1/s1
定義日:2014-02-04
最終更新日:2024-09-27
公開日:2014-05-07
識別子（ID）:(2E)-2-({[(2S)-2-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)methoxy]imino}acetyl]amino}-3-oxopropyl]oxy}imino)pentanedioic acid
2U3
2U3
表記:(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)methoxy]imino}-N-{(2S)-1-hydroxy-3-methyl-3-[(sulfooxy)amino]butan-2-yl}ethanamide
組成式:C16 H22 N6 O10 S2
SMILES:O=S(=O)(O)ONC(C)(C)C(NC(=O)C(=NOCC1=CC(=O)C(O)=CN1O)/c2nc(sc2)N)CO
InChi:InChI=1S/C16H22N6O10S2/c1-16(2,21-32-34(28,29)30)12(5-23)19-14(26)13(9-7-33-15(17)18-9)20-31-6-8-3-10(24)11(25)4-22(8)27/h3-4,7,12,21,23,25,27H,5-6H2,1-2H3,(H2,17,18)(H,19,26)(H,28,29,30)/b20-13-/t12-/m1/s1
定義日:2014-02-04
最終更新日:2024-09-27
公開日:2014-05-07
識別子（ID）:(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)methoxy]imino}-N-{(2S)-1-hydroxy-3-methyl-3-[(sulfooxy)amino]butan-2-yl}ethanamide
2U4
2U4
表記:(4Z,8S,11E,14S)-5-(2-amino-1,3-thiazol-4-yl)-14-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-8-formyl-2-methyl-6-oxo-3,10-dioxa-4,7,11-triazatetradeca-4,11-diene-2,12,14-tricarboxylic acid
組成式:C25 H24 N6 O14 S
SMILES:O=C(O)C(N2C(=O)c1cc(O)c(O)cc1C2=O)CC(=NOCC(C=O)NC(=O)C(=NOC(C(=O)O)(C)C)/c3nc(sc3)N)/C(=O)O
InChi:InChI=1S/C25H24N6O14S/c1-25(2,23(42)43)45-30-17(13-8-46-24(26)28-13)18(35)27-9(6-32)7-44-29-12(21(38)39)5-14(22(40)41)31-19(36)10-3-15(33)16(34)4-11(10)20(31)37/h3-4,6,8-9,14,33-34H,5,7H2,1-2H3,(H2,26,28)(H,27,35)(H,38,39)(H,40,41)(H,42,43)/b29-12+,30-17-/t9-,14+/m1/s1
定義日:2014-02-04
最終更新日:2024-09-27
公開日:2014-05-07
識別子（ID）:(4Z,8S,11E,14S)-5-(2-amino-1,3-thiazol-4-yl)-14-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-8-formyl-2-methyl-6-oxo-3,10-dioxa-4,7,11-triazatetradeca-4,11-diene-2,12,14-tricarboxylic acid
2UC
2UC
表記:1-[3-(2-oxoethyl)benzyl]guanidine
組成式:C10 H13 N3 O2
SMILES:O=CCc1cccc(c1)CNC(=[N@H])N
InChi:InChI=1S/C10H13N3O2/c11-10(12)13-6-8-3-1-2-7(4-8)5-9(14)15/h1-4H,5-6H2,(H,14,15)(H4,11,12,13)
定義日:2014-02-07
最終更新日:2024-09-27
公開日:2014-04-09
識別子（ID）:1-[3-(2-oxoethyl)benzyl]guanidine
2UE
2UE
表記:1-[4-(2-oxoethyl)benzyl]guanidine
組成式:C10 H13 N3 O
SMILES:C(c1ccc(cc1)CNC(N)=[N@H])C=O
InChi:InChI=1S/C10H13N3O/c11-10(12)13-7-9-3-1-8(2-4-9)5-6-14/h1-4,6H,5,7H2,(H4,11,12,13)
定義日:2015-06-22
最終更新日:2024-09-27
公開日:2015-07-01
識別子（ID）:1-[4-(2-oxoethyl)benzyl]guanidine
2UH
2UH
表記:N-[3-(propanoylamino)propyl]guanosine 5'-(trihydrogen diphosphate)
組成式:C16 H26 N6 O12 P2
SMILES:O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(NCCCNC(=O)CC)NC1=O)C(O)C3O
InChi:InChI=1S/C16H26N6O12P2/c1-2-9(23)17-4-3-5-18-16-20-13-10(14(26)21-16)19-7-22(13)15-12(25)11(24)8(33-15)6-32-36(30,31)34-35(27,28)29/h7-8,11-12,15,24-25H,2-6H2,1H3,(H,17,23)(H,30,31)(H2,27,28,29)(H2,18,20,21,26)/t8-,11-,12-,15-/m1/s1
定義日:2014-05-08
最終更新日:2024-09-27
公開日:2014-05-28
識別子（ID）:N-[3-(propanoylamino)propyl]guanosine 5'-(trihydrogen diphosphate)
2UJ
2UJ
表記:N-[3-(propanoylamino)propyl]guanosine 5'-(tetrahydrogen triphosphate)
組成式:C16 H27 N6 O15 P3
SMILES:O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n1cnc2c1NC(=NC2=O)NCCCNC(=O)CC)C(O)C3O
InChi:InChI=1S/C16H27N6O15P3/c1-2-9(23)17-4-3-5-18-16-20-13-10(14(26)21-16)19-7-22(13)15-12(25)11(24)8(35-15)6-34-39(30,31)37-40(32,33)36-38(27,28)29/h7-8,11-12,15,24-25H,2-6H2,1H3,(H,17,23)(H,30,31)(H,32,33)(H2,27,28,29)(H2,18,20,21,26)/t8-,11-,12-,15-/m1/s1
定義日:2014-05-08
最終更新日:2024-09-27
公開日:2014-05-28
識別子（ID）:N-[3-(propanoylamino)propyl]guanosine 5'-(tetrahydrogen triphosphate)
2UK
2UK
表記:5'-O-[(R)-hydroxy{[(S)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-N-[3-(propanoylamino)propyl]guanosine
組成式:C16 H28 N7 O14 P3
SMILES:O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n1cnc2c1NC(=NC2=O)NCCCNC(=O)CC)C(O)C3O
InChi:InChI=1S/C16H28N7O14P3/c1-2-9(24)17-4-3-5-18-16-20-13-10(14(27)21-16)19-7-23(13)15-12(26)11(25)8(36-15)6-35-40(33,34)37-39(31,32)22-38(28,29)30/h7-8,11-12,15,25-26H,2-6H2,1H3,(H,17,24)(H,33,34)(H2,18,20,21,27)(H4,22,28,29,30,31,32)/t8-,11-,12-,15-/m1/s1
定義日:2014-05-08
最終更新日:2024-09-27
公開日:2014-05-28
識別子（ID）:5'-O-[(R)-hydroxy{[(S)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-N-[3-(propanoylamino)propyl]guanosine
2UL
2UL
表記:3-[(2R)-2-{[(2R)-2-amino-2-phenylacetyl]amino}-2-(dihydroxyboranyl)ethyl]benzoic acid
組成式:C17 H19 B N2 O5
SMILES:O=C(O)c1cccc(c1)CC(B(O)O)NC(=O)C(N)c2ccccc2
InChi:InChI=1S/C17H19BN2O5/c19-15(12-6-2-1-3-7-12)16(21)20-14(18(24)25)10-11-5-4-8-13(9-11)17(22)23/h1-9,14-15,24-25H,10,19H2,(H,20,21)(H,22,23)/t14-,15+/m0/s1
定義日:2014-02-10
最終更新日:2024-09-27
公開日:2015-05-20
識別子（ID）:3-[(2R)-2-{[(2R)-2-amino-2-phenylacetyl]amino}-2-(dihydroxyboranyl)ethyl]benzoic acid
HS8
HS8
表記:3-(1-sulfo-1H-imidazol-3-ium-4-yl)-L-alanine
組成式:C6 H10 N3 O5 S
SMILES:O=S(=O)(O)n1cc([nH+]c1)CC(C(=O)O)N
InChi:InChI=1S/C6H9N3O5S/c7-5(6(10)11)1-4-2-9(3-8-4)15(12,13)14/h2-3,5H,1,7H2,(H,10,11)(H,12,13,14)/p+1/t5-/m0/s1
定義日:2008-11-13
最終更新日:2024-09-27
識別子（ID）:3-(1-sulfo-1H-imidazol-3-ium-4-yl)-L-alanine
HS9
HS9
表記:N-ALPHA-METHYL-L-HISTIDINAMIDE
組成式:C7 H12 N4 O
SMILES:O=C(N)C(NC)Cc1ncnc1
InChi:InChI=1S/C7H12N4O/c1-9-6(7(8)12)2-5-3-10-4-11-5/h3-4,6,9H,2H2,1H3,(H2,8,12)(H,10,11)/t6-/m0/s1
別名:N-METHYL-L-HISTIDINAMIDE
定義日:2009-09-02
最終更新日:2024-09-27
識別子（ID）:Nalpha-methyl-L-histidinamide
2UQ
2UQ
表記:N-benzyl-2-[(Z)-iminomethyl]pyrimidine-5-carboxamide
組成式:C13 H12 N4 O
SMILES:O=C(c1cnc(nc1)C=[N@H])NCc2ccccc2
InChi:InChI=1S/C13H12N4O/c14-6-12-15-8-11(9-16-12)13(18)17-7-10-4-2-1-3-5-10/h1-6,8-9,14H,7H2,(H,17,18)/b14-6+
定義日:2014-05-08
最終更新日:2024-09-27
公開日:2014-09-10
識別子（ID）:N-benzyl-2-[(E)-iminomethyl]pyrimidine-5-carboxamide

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