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JZR
JZR
表記:hexyl beta-D-glucopyranoside
組成式:C12 H24 O6
SMILES:CCCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C12H24O6/c1-2-3-4-5-6-17-12-11(16)10(15)9(14)8(7-13)18-12/h8-16H,2-7H2,1H3/t8-,9-,10+,11-,12-/m1/s1
別名:hexyl beta-D-glucoside
定義日:2009-11-11
最終更新日:2020-07-17
識別子（ID）:(2R,3R,4S,5S,6R)-2-hexoxy-6-(hydroxymethyl)oxane-3,4,5-triol
AAL
AAL
表記:3,6-anhydro-alpha-L-galactopyranose
組成式:C6 H10 O5
SMILES:OC2OC1C(O)C(OC1)C2O
InChi:InChI=1S/C6H10O5/c7-3-2-1-10-5(3)4(8)6(9)11-2/h2-9H,1H2/t2-,3+,4-,5+,6+/m0/s1
別名:3,6-ANHYDRO-L-GALACTOSE
定義日:2001-01-23
最終更新日:2020-07-17
識別子（ID）:3,6-anhydro-alpha-L-galactopyranose
ABD
ABD
表記:ACARBOSE DERIVED HEXASACCHARIDE
組成式:C36 H63 N O29
SMILES:O(C1C(OC(O)C(O)C1O)CO)C6OC(C(OC5OC(C)C(NC4OC(CO)C(OC3OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)C(O)C4O)C(O)C5O)C(O)C6O)CO
InChi:InChI=1S/C36H63NO29/c1-7-13(15(44)23(52)33(57-7)63-29-11(5-41)61-36(25(54)19(29)48)65-28-10(4-40)59-32(56)22(51)18(28)47)37-31-21(50)17(46)27(9(3-39)58-31)64-35-26(55)20(49)30(12(6-42)62-35)66-34-24(53)16(45)14(43)8(2-38)60-34/h7-56H,2-6H2,1H3/t7-,8-,9-,10-,11-,12-,13-,14-,15+,16+,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31+,32-,33-,34-,35-,36-/m1/s1
定義日:1999-07-08
最終更新日:2020-07-17
識別子（ID）:(2R,3R,4R,5S,6R)-5-{[(2R,3R,4R,5S,6R)-5-{[(2R,3R,4S,5S,6R)-5-{[(2S,3R,4R,5S,6R)-5-{[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]amino}-3,4-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-(hydroxymethyl)tetrahydro-2H-pyran-2,3,4-triol (non-preferred name)
ABE
ABE
表記:alpha-D-Abequopyranose
組成式:C6 H12 O4
SMILES:OC1C(OC(O)C(O)C1)C
InChi:InChI=1S/C6H12O4/c1-3-4(7)2-5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4-,5-,6+/m1/s1
別名:alpha-D-Abequose
定義日:1999-07-08
最終更新日:2020-07-17
識別子（ID）:3,6-dideoxy-alpha-D-xylo-hexopyranose
ABF
ABF
表記:5-O-phosphono-beta-D-arabinofuranose
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:BETA-D-ARABINOFURANOSE-5'-PHOSPHATE
定義日:2002-11-26
最終更新日:2020-07-17
識別子（ID）:5-O-phosphono-beta-D-arabinofuranose
ABL
ABL
表記:(2R,3R,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)-6-oxopiperidin-3-yl beta-D-glucopyranoside
組成式:C12 H21 N O10
SMILES:O=C2NC(C(OC1OC(C(O)C(O)C1O)CO)C(O)C2O)CO
InChi:InChI=1S/C12H21NO10/c14-1-3-10(7(18)8(19)11(21)13-3)23-12-9(20)6(17)5(16)4(2-15)22-12/h3-10,12,14-20H,1-2H2,(H,13,21)/t3-,4-,5-,6+,7-,8-,9-,10-,12+/m1/s1
別名:5-amino-5-deoxy-cellobiono-1,5-lactam
定義日:2003-01-02
最終更新日:2020-07-17
識別子（ID）:(2R,3R,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)-6-oxopiperidin-3-yl beta-D-glucopyranoside
AC1
AC1
表記:4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose
組成式:C13 H23 N O8
SMILES:OC2C(NC1C=C(CO)C(O)C(O)C1O)C(OC(O)C2O)C
InChi:InChI=1S/C13H23NO8/c1-4-7(10(18)12(20)13(21)22-4)14-6-2-5(3-15)8(16)11(19)9(6)17/h2,4,6-21H,3H2,1H3/t4-,6+,7-,8-,9+,10+,11+,12-,13+/m1/s1
別名:6-METHYL-5-(4,5,6-TRIHYDROXY-3-HYDROXYMETHYL-CYCLOHEX-2-ENYLAMINO)-TETRAHYDRO-PYRAN-2,3,4-TRIOL
定義日:1999-09-21
最終更新日:2020-07-17
識別子（ID）:4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose
ACR
ACR
表記:ALPHA-ACARBOSE
組成式:C25 H43 N O18
SMILES:O(C1C(OC(O)C(O)C1O)CO)C4OC(C(OC3OC(C)C(NC2C=C(CO)C(O)C(O)C2O)C(O)C3O)C(O)C4O)CO
InChi:InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23+,24-,25-/m1/s1
別名:1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4-TRIHYDROXYCYCLOHEX-5,6-ENYL)AMINO)FRUCTOSE
定義日:1999-07-08
最終更新日:2020-07-17
識別子（ID）:4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranose
ACX
ACX
表記:ALPHA-CYCLODEXTRIN (CYCLOHEXA-AMYLOSE)
組成式:C36 H60 O30
SMILES:O1C7C(O)C(O)C(OC6C(O)C(O)C(OC5C(O)C(O)C(OC4C(O)C(O)C(OC3C(O)C(O)C(OC2C(OC1C(O)C2O)CO)OC3CO)OC4CO)OC5CO)OC6CO)OC7CO
InChi:InChI=1S/C36H60O30/c37-1-7-25-13(43)19(49)31(55-7)62-26-8(2-38)57-33(21(51)15(26)45)64-28-10(4-40)59-35(23(53)17(28)47)66-30-12(6-42)60-36(24(54)18(30)48)65-29-11(5-41)58-34(22(52)16(29)46)63-27-9(3-39)56-32(61-25)20(50)14(27)44/h7-54H,1-6H2/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-/m1/s1
定義日:1999-07-08
最終更新日:2020-07-17
識別子（ID）:(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25,30-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.2~3,6~.2~8,11~.2~13,16~.2~18,21~.2~23,26~]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol (non-preferred name)
ADA
ADA
表記:alpha-D-galactopyranuronic acid
組成式:C6 H10 O7
SMILES:O=C(O)C1OC(O)C(O)C(O)C1O
InChi:InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3+,4-,6-/m0/s1
別名:alpha-D-galacturonic acid
定義日:2002-04-08
最終更新日:2020-07-17
識別子（ID）:alpha-D-galactopyranuronic acid
AF1
AF1
表記:4,6-dideoxy-4-{[(1S,4S,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-beta-D-glucopyranose
組成式:C13 H23 N O8
SMILES:OC2C(NC1C=C(CO)C(O)C(O)C1O)C(OC(O)C2O)C
InChi:InChI=1S/C13H23NO8/c1-4-7(10(18)12(20)13(21)22-4)14-6-2-5(3-15)8(16)11(19)9(6)17/h2,4,6-21H,3H2,1H3/t4-,6+,7-,8?,9+,10+,11+,12-,13-/m1/s1
別名:4,6-dideoxy-4-{[(1S,4S,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-beta-D-glucose
定義日:1999-07-08
最終更新日:2020-07-17
識別子（ID）:4,6-dideoxy-4-{[(1S,4S,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-beta-D-glucopyranose
AFD
AFD
表記:alpha-D-allopyranose
組成式:C6 H12 O6
SMILES:C1(O)OC(C(C(C1O)O)O)CO
InChi:InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4-,5-,6+/m1/s1
別名:alpha-D-allose
定義日:2012-08-31
最終更新日:2020-07-17
公開日:2012-12-07
識別子（ID）:alpha-D-allopyranose
K4W
K4W
表記:4-[[[5-nitroso-2-[[(2~{R})-1-oxidanylbutan-2-yl]amino]-6-(propan-2-ylamino)pyrimidin-4-yl]amino]methyl]phenol
組成式:C18 H26 N6 O3
SMILES:CC[CH](CO)Nc1nc(NCc2ccc(O)cc2)c(N=O)c(NC(C)C)n1
InChi:InChI=1S/C18H26N6O3/c1-4-13(10-25)21-18-22-16(15(24-27)17(23-18)20-11(2)3)19-9-12-5-7-14(26)8-6-12/h5-8,11,13,25-26H,4,9-10H2,1-3H3,(H3,19,20,21,22,23)/t13-/m1/s1
定義日:2019-04-24
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:4-[[[5-nitroso-2-[[(2~{R})-1-oxidanylbutan-2-yl]amino]-6-(propan-2-ylamino)pyrimidin-4-yl]amino]methyl]phenol
AFO
AFO
表記:octyl alpha-D-arabinofuranoside
組成式:C13 H26 O5
SMILES:O(CCCCCCCC)C1OC(C(O)C1O)CO
InChi:InChI=1S/C13H26O5/c1-2-3-4-5-6-7-8-17-13-12(16)11(15)10(9-14)18-13/h10-16H,2-9H2,1H3/t10-,11-,12+,13+/m1/s1
別名:octyl alpha-D-arabinoside
定義日:2010-12-06
最終更新日:2020-07-17
識別子（ID）:octyl alpha-D-arabinofuranoside
AFP
AFP
表記:1,6-di-O-phosphono-alpha-D-fructofuranose
組成式:C6 H14 O12 P2
SMILES:O=P(O)(O)OCC1OC(O)(COP(=O)(O)O)C(O)C1O
InChi:InChI=1S/C6H14O12P2/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5+,6+/m1/s1
別名:ALPHA FRUCTOSE 1,6-DIPHOSPHATE
定義日:1999-07-08
最終更新日:2020-07-17
識別子（ID）:1,6-di-O-phosphono-alpha-D-fructofuranose
AFR
AFR
表記:alpha-D-threo-hexo-2,5-diulo-5,1-pyranosyl fluoride
組成式:C6 H9 F O5
SMILES:O=C1C(O)C(O)C(F)(OC1)CO
InChi:InChI=1S/C6H9FO5/c7-6(2-8)5(11)4(10)3(9)1-12-6/h4-5,8,10-11H,1-2H2/t4-,5+,6-/m1/s1
別名:2-OXO-1,2,DIDEOXY-5F-D-GLUCOPYRANOSE
定義日:2012-03-14
最終更新日:2020-07-17
公開日:2013-03-27
識別子（ID）:alpha-D-threo-hexo-2,5-diulo-5,1-pyranosyl fluoride
K5B
K5B
表記:4,7-anhydro-3-deoxy-D-gluco-oct-2-ulosonic acid
組成式:C8 H12 O7
SMILES:OC[CH]1O[CH](CC(=O)C(O)=O)[CH](O)[CH]1O
InChi:InChI=1S/C8H12O7/c9-2-5-7(12)6(11)4(15-5)1-3(10)8(13)14/h4-7,9,11-12H,1-2H2,(H,13,14)/t4-,5+,6+,7+/m0/s1
別名:4,7-anhydro-3-deoxy-D-manno-oct-2-ulosonic acid
定義日:2017-09-07
最終更新日:2020-07-17
公開日:2018-06-20
識別子（ID）:3-[(2~{S},3~{S},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanylidene-propanoic acid
AGL
AGL
表記:4-amino-4,6-dideoxy-alpha-D-glucopyranose
組成式:C6 H13 N O4
SMILES:OC1C(N)C(OC(O)C1O)C
InChi:InChI=1S/C6H13NO4/c1-2-3(7)4(8)5(9)6(10)11-2/h2-6,8-10H,7H2,1H3/t2-,3-,4+,5-,6+/m1/s1
別名:4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSE
定義日:1999-07-08
最終更新日:2020-07-17
識別子（ID）:4-amino-4,6-dideoxy-alpha-D-glucopyranose
AGR
AGR
表記:[(2R,3S,4S,5S)-2,5-bis(hydroxymethyl)-5-[(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidany l-oxolan-3-yl] [(2R,3R,4S,5S)-2,4,5-tris(oxidanyl)oxan-3-yl] hydrogen phosphate
組成式:C17 H31 O18 P
SMILES:O=P(OC1C(O)C(O)COC1O)(OC3C(OC(OC2OC(CO)C(O)C(O)C2O)(CO)C3O)CO)O
InChi:InChI=1S/C17H31O18P/c18-1-6-9(23)10(24)11(25)16(31-6)33-17(4-20)14(26)12(7(2-19)32-17)34-36(28,29)35-13-8(22)5(21)3-30-15(13)27/h5-16,18-27H,1-4H2,(H,28,29)/t5-,6+,7+,8-,9-,10+,11+,12+,13+,14-,15+,16+,17-/m0/s1
別名:agrocinopine A
定義日:2014-03-12
最終更新日:2020-07-17
公開日:2015-08-19
識別子（ID）:(2R,3S,4S,5S)-4-hydroxy-2,5-bis(hydroxymethyl)-5-{[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydrofuran-3-yl (2R,3R,4S,5S)-2,4,5-trihydroxytetrahydro-2H-pyran-3-yl hydrogen (R)-phosphate (non-preferred name)
AH2
AH2
表記:1-deoxy-alpha-D-mannopyranose
組成式:C6 H12 O5
SMILES:OC[CH]1OC[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4-,5-,6-/m1/s1
別名:1,5-Anhydromannitol
定義日:2017-01-13
最終更新日:2020-07-17
公開日:2018-02-14
識別子（ID）:(2~{R},3~{S},4~{R},5~{R})-2-(hydroxymethyl)oxane-3,4,5-triol
AH8
AH8
表記:(2R,3R,4R,5S)-2-azido-5-(hydroxymethyl)oxolane-3,4-diol
組成式:C5 H9 N3 O4
SMILES:[N-]=[N+]=N/C1OC(C(O)C1O)CO
InChi:InChI=1S/C5H9N3O4/c6-8-7-5-4(11)3(10)2(1-9)12-5/h2-5,9-11H,1H2/t2-,3-,4+,5+/m0/s1
別名:(2R,3R,4R,5S)-2-azido-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
定義日:2010-08-03
最終更新日:2020-07-17
識別子（ID）:(2R,3R,4R,5S)-2-azido-5-(hydroxymethyl)tetrahydrofuran-3,4-diol (non-preferred name)
AHG
AHG
表記:2,5-anhydro-1,6-di-O-phosphono-D-glucitol
組成式:C6 H14 O11 P2
SMILES:O=P(OCC1OC(C(O)C1O)COP(=O)(O)O)(O)O
InChi:InChI=1S/C6H14O11P2/c7-5-3(1-15-18(9,10)11)17-4(6(5)8)2-16-19(12,13)14/h3-8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,4+,5-,6-/m1/s1
別名:2,5-ANHYDROGLUCITOL-1,6-BIPHOSPHATE
定義日:1999-07-08
最終更新日:2020-07-17
識別子（ID）:2,5-anhydro-1,6-di-O-phosphono-D-glucitol
AHM
AHM
表記:2,5-anhydro-1,6-di-O-phosphono-D-mannitol
組成式:C6 H14 O11 P2
SMILES:O=P(OCC1OC(C(O)C1O)COP(=O)(O)O)(O)O
InChi:InChI=1S/C6H14O11P2/c7-5-3(1-15-18(9,10)11)17-4(6(5)8)2-16-19(12,13)14/h3-8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,4-,5-,6-/m1/s1
別名:2,5-ANHYDROMANNITOL-1,6-DIPHOSPHATE
定義日:1999-07-08
最終更新日:2020-07-17
識別子（ID）:2,5-anhydro-1,6-di-O-phosphono-D-mannitol
AIG
AIG
表記:hexyl 3-amino-3-deoxy-beta-D-galactopyranoside
組成式:C12 H25 N O5
SMILES:O(CCCCCC)C1OC(C(O)C(N)C1O)CO
InChi:InChI=1S/C12H25NO5/c1-2-3-4-5-6-17-12-11(16)9(13)10(15)8(7-14)18-12/h8-12,14-16H,2-7,13H2,1H3/t8-,9+,10+,11-,12-/m1/s1
別名:4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-3,5-DIOL
定義日:2003-10-27
最終更新日:2020-07-17
識別子（ID）:hexyl 3-amino-3-deoxy-beta-D-galactopyranoside
K8Q
K8Q
表記:4-(4-bromanyl-2-oxidanylidene-3~{H}-benzimidazol-1-yl)-~{N}-(4-iodophenyl)piperidine-1-carboxamide
組成式:C19 H18 Br I N4 O2
SMILES:Brc1cccc2N(C3CCN(CC3)C(=O)Nc4ccc(I)cc4)C(=O)Nc12
InChi:InChI=1S/C19H18BrIN4O2/c20-15-2-1-3-16-17(15)23-19(27)25(16)14-8-10-24(11-9-14)18(26)22-13-6-4-12(21)5-7-13/h1-7,14H,8-11H2,(H,22,26)(H,23,27)
定義日:2019-05-03
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:4-(4-bromanyl-2-oxidanylidene-3~{H}-benzimidazol-1-yl)-~{N}-(4-iodophenyl)piperidine-1-carboxamide

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件を2025-07-09に公開中

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