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DR5
DR5
表記:METHYL 4-O-L-GLUCOPYRANOSYL-ALPHA-L-RIBO-HEXOPYRANOSIDE
組成式:C13 H24 O11
SMILES:OC2C(O)C(OC1OC(CO)C(O)C(O)C1O)C(OC2OC)CO
InChi:InChI=1S/C13H24O11/c1-21-12-10(20)8(18)11(5(3-15)23-12)24-13-9(19)7(17)6(16)4(2-14)22-13/h4-20H,2-3H2,1H3/t4-,5-,6+,7+,8-,9-,10-,11-,12-,13+/m1/s1
別名:BETA-METHYLLACTOSIDE
定義日:2005-07-18
最終更新日:2020-07-17
識別子（ID）:methyl 4-O-beta-D-galactopyranosyl-beta-D-glucopyranoside
DRI
DRI
表記:2,6-dideoxy-4-O-methyl-beta-D-glucopyranose
組成式:C7 H14 O4
SMILES:O(C1C(OC(O)CC1O)C)C
InChi:InChI=1S/C7H14O4/c1-4-7(10-2)5(8)3-6(9)11-4/h4-9H,3H2,1-2H3/t4-,5-,6-,7-/m1/s1
別名:4-O-METHYL-2,6-DIDEOXY-BETA-D-GLUCOSE
定義日:1999-07-08
最終更新日:2020-07-17
識別子（ID）:2,6-dideoxy-4-O-methyl-beta-D-arabino-hexopyranose
DSR
DSR
表記:2,6-dideoxy-4-thio-beta-D-allopyranose
組成式:C6 H12 O3 S
SMILES:SC1C(OC(O)CC1O)C
InChi:InChI=1S/C6H12O3S/c1-3-6(10)4(7)2-5(8)9-3/h3-8,10H,2H2,1H3/t3-,4+,5-,6-/m1/s1
別名:2,6-dideoxy-4-thio-beta-D-allose
定義日:1999-07-08
最終更新日:2020-07-17
識別子（ID）:2,6-dideoxy-4-thio-beta-D-ribo-hexopyranose
DT6
DT6
表記:2,4-bisacetamido-2,4-dideoxy-beta-D-glucopyranose
組成式:C10 H18 N2 O6
SMILES:O=C(NC1C(OC(O)C(NC(=O)C)C1O)CO)C
InChi:InChI=1S/C10H18N2O6/c1-4(14)11-7-6(3-13)18-10(17)8(9(7)16)12-5(2)15/h6-10,13,16-17H,3H2,1-2H3,(H,11,14)(H,12,15)/t6-,7-,8-,9+,10-/m1/s1
別名:2,4-bis(acetylamino)-2,4-dideoxy-beta-D-glucopyranose
定義日:2006-06-29
最終更新日:2020-07-17
識別子（ID）:2,4-bis(acetylamino)-2,4-dideoxy-beta-D-glucopyranose
DVC
DVC
表記:(2R,4S,6S)-4-azanyl-4,6-dimethyl-oxane-2,5,5-triol
組成式:C7 H15 N O4
SMILES:OC1OC(C(O)(O)C(N)(C)C1)C
InChi:InChI=1S/C7H15NO4/c1-4-7(10,11)6(2,8)3-5(9)12-4/h4-5,9-11H,3,8H2,1-2H3/t4-,5+,6-/m0/s1
定義日:2011-01-10
最終更新日:2020-07-17
識別子（ID）:(2R,4S,6S)-4-amino-4,6-dimethyldihydro-2H-pyran-2,5,5(6H)-triol (non-preferred name)
DYM
DYM
表記:(2R)-2,3-dihydroxypropyl 2-acetamido-2,4-dideoxy-alpha-L-threo-hex-4-enopyranosiduronic acid
組成式:C11 H17 N O8
SMILES:C(C1=CC(C(C(O1)OCC(CO)O)NC(C)=O)O)(=O)O
InChi:InChI=1S/C11H17NO8/c1-5(14)12-9-7(16)2-8(10(17)18)20-11(9)19-4-6(15)3-13/h2,6-7,9,11,13,15-16H,3-4H2,1H3,(H,12,14)(H,17,18)/t6-,7+,9-,11-/m1/s1
別名:6-(2,3-DIHYDROXYPROPOXY)-5-ACETAMIDO-5,6-DIHYDRO-4-HYDROXY-4H-PYRAN-2-CARBOXYLIC ACID
定義日:2005-11-28
最終更新日:2020-07-17
識別子（ID）:(2R)-2,3-dihydroxypropyl 2-(acetylamino)-2,4-dideoxy-alpha-L-threo-hex-4-enopyranosiduronic acid
ETT
ETT
表記:5-acetamido-2,6-anhydro-3,5-dideoxy-3-[(2E)-3-(4-methylphenyl)prop-2-en-1-yl]-D-glycero-D-galacto-non-2-enonic acid
組成式:C21 H27 N O8
SMILES:O=C(O)C=1OC(C(O)C(O)CO)C(NC(=O)C)C(O)C=1CC=Cc2ccc(cc2)C
InChi:InChI=1S/C21H27NO8/c1-11-6-8-13(9-7-11)4-3-5-14-17(26)16(22-12(2)24)20(18(27)15(25)10-23)30-19(14)21(28)29/h3-4,6-9,15-18,20,23,25-27H,5,10H2,1-2H3,(H,22,24)(H,28,29)/b4-3+/t15-,16-,17+,18-,20-/m1/s1
別名:5-(acetylamino)-2,6-anhydro-3,5-dideoxy-3-[(2E)-3-(4-methylphenyl)prop-2-en-1-yl]-D-glycero-D-galacto-non-2-enonic acid
定義日:2010-11-24
最終更新日:2020-07-17
識別子（ID）:5-(acetylamino)-2,6-anhydro-3,5-dideoxy-3-[(2E)-3-(4-methylphenyl)prop-2-en-1-yl]-D-glycero-D-galacto-non-2-enonic acid
F1P
F1P
表記:1-O-phosphono-beta-D-fructopyranose
組成式:C6 H13 O9 P
SMILES:O=P(O)(O)OCC1(O)OCC(O)C(O)C1O
InChi:InChI=1S/C6H13O9P/c7-3-1-14-6(10,5(9)4(3)8)2-15-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6-/m1/s1
別名:BETA-D-FRUCTOPYRANOSE-1-PHOSPHATE
定義日:2006-02-28
最終更新日:2020-07-17
識別子（ID）:1-O-phosphono-beta-D-fructopyranose
F1X
F1X
表記:1-O-phosphono-beta-D-fructofuranose
組成式:C6 H13 O9 P
SMILES:O=P(OCC1(O)OC(C(O)C1O)CO)(O)O
InChi:InChI=1S/C6H13O9P/c7-1-3-4(8)5(9)6(10,15-3)2-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6-/m1/s1
別名:beta D-Fructose 1-phosphate
定義日:2010-08-04
最終更新日:2020-07-17
識別子（ID）:1-O-phosphono-beta-D-fructofuranose
F55
F55
表記:N-{[(4-chlorophenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine
組成式:C14 H17 Cl N2 O7
SMILES:O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)c2ccc(Cl)cc2
InChi:InChI=1S/C14H17ClN2O7/c15-7-3-1-6(2-4-7)12(22)16-14(23)17-13-11(21)10(20)9(19)8(5-18)24-13/h1-4,8-11,13,18-21H,5H2,(H2,16,17,22,23)/t8-,9-,10+,11-,13-/m1/s1
別名:N-{[(4-chlorophenyl)carbonyl]carbamoyl}-beta-D-glucosylamine
定義日:2008-02-12
最終更新日:2020-07-17
識別子（ID）:N-{[(4-chlorophenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine
F58
F58
表記:N-[(cyclohexylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine
組成式:C14 H24 N2 O7
SMILES:O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)C2CCCCC2
InChi:InChI=1S/C14H24N2O7/c17-6-8-9(18)10(19)11(20)13(23-8)16-14(22)15-12(21)7-4-2-1-3-5-7/h7-11,13,17-20H,1-6H2,(H2,15,16,21,22)/t8-,9-,10+,11-,13-/m1/s1
別名:N-[(cyclohexylcarbonyl)carbamoyl]-beta-D-glucosylamine
定義日:2012-11-22
最終更新日:2020-07-17
公開日:2013-12-11
識別子（ID）:N-[(cyclohexylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine
F6P
F6P
表記:6-O-phosphono-beta-D-fructofuranose
組成式:C6 H13 O9 P
SMILES:O=P(O)(O)OCC1OC(O)(CO)C(O)C1O
InChi:InChI=1S/C6H13O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6-/m1/s1
別名:FRUCTOSE-6-PHOSPHATE
定義日:1999-07-08
最終更新日:2020-07-17
識別子（ID）:6-O-phosphono-beta-D-fructofuranose
QCQ
QCQ
表記:[[(2~{R},3~{R},4~{S},5~{R})-5-[2-chloranyl-6-[(phenylmethyl)amino]purin-9-yl]-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
組成式:C18 H21 Cl F N5 O8 P2
SMILES:O[CH]1[CH](F)[CH](O[CH]1CO[P](O)(=O)C[P](O)(O)=O)n2cnc3c(NCc4ccccc4)nc(Cl)nc23
InChi:InChI=1S/C18H21ClFN5O8P2/c19-18-23-15(21-6-10-4-2-1-3-5-10)13-16(24-18)25(8-22-13)17-12(20)14(26)11(33-17)7-32-35(30,31)9-34(27,28)29/h1-5,8,11-12,14,17,26H,6-7,9H2,(H,30,31)(H,21,23,24)(H2,27,28,29)/t11-,12+,14-,17-/m1/s1
定義日:2020-06-05
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:[[(2~{R},3~{R},4~{S},5~{R})-5-[2-chloranyl-6-[(phenylmethyl)amino]purin-9-yl]-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
83Y
83Y
表記:3-O-sulfo-alpha-L-rhamnopyranose
組成式:C6 H12 O8 S
SMILES:C1(OC(C(C(C1O)OS(=O)(=O)O)O)C)O
InChi:InChI=1S/C6H12O8S/c1-2-3(7)5(14-15(10,11)12)4(8)6(9)13-2/h2-9H,1H3,(H,10,11,12)/t2-,3-,4+,5+,6+/m0/s1
別名:6-deoxy-3-O-sulfo-alpha-L-mannopyranose
定義日:2017-01-05
最終更新日:2020-07-17
公開日:2017-03-29
識別子（ID）:6-deoxy-3-O-sulfo-alpha-L-mannopyranose
QIF
QIF
表記:1-deoxy-7-O-phosphono-alpha-D-gluco-hept-2-ulopyranose
組成式:C7 H15 O9 P
SMILES:C1(C(C(O)C(C(COP(=O)(O)O)O1)O)O)(O)C
InChi:InChI=1S/C7H15O9P/c1-7(11)6(10)5(9)4(8)3(16-7)2-15-17(12,13)14/h3-6,8-11H,2H2,1H3,(H2,12,13,14)/t3-,4-,5+,6-,7+/m1/s1
別名:1-deoxy-7-O-phosphono-alpha-D-gluco-hept-2-ulose
定義日:2018-11-09
最終更新日:2020-07-17
公開日:2019-05-01
識別子（ID）:1-deoxy-7-O-phosphono-alpha-D-gluco-hept-2-ulopyranose
89Y
89Y
表記:(3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-one
組成式:C5 H8 O5
SMILES:OC1C(=O)OCC1(O)CO
InChi:InChI=1S/C5H8O5/c6-1-5(9)2-10-4(8)3(5)7/h3,6-7,9H,1-2H2/t3-,5+/m0/s1
定義日:2017-01-13
最終更新日:2020-07-17
公開日:2017-02-01
識別子（ID）:(3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-one
QKH
QKH
表記:Methyl-cyclo-hepta-amylose
組成式:C49 H84 O35
SMILES:O(C)C2C(O)C1OC8OC(CO)C(OC7OC(CO)C(OC6OC(CO)C(OC5OC(C(OC4OC(CO)C(OC3OC(COC)C(OC2OC1CO)C(O)C3OC)C(O)C4OC)C(O)C5O)CO)C(O)C6O)C(OC)C7O)C(OC)C8OC
InChi:InChI=1S/C49H84O35/c1-64-14-21-34-28(62)40(68-5)48(77-21)80-32-17(10-52)74-46(38(66-3)26(32)60)79-31-16(9-51)71-43(24(58)23(31)57)78-30-15(8-50)72-44(25(59)22(30)56)83-35-19(12-54)73-45(29(63)37(35)65-2)84-36-20(13-55)76-49(42(70-7)41(36)69-6)81-33-18(11-53)75-47(82-34)39(67-4)27(33)61/h15-63H,8-14H2,1-7H3/t15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26+,27+,28+,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41+,42-,43-,44-,45-,46-,47-,48-,49-/m1/s1
別名:Methyl-beta-cyclodextrin
定義日:2007-08-07
最終更新日:2020-07-17
識別子（ID）:(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21R,23R,25R,26R,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42S,43R,44S,45R,46S,47R,48S,49R)-5,15,20,25,30,35-hexakis(hydroxymethyl)-40,42,43,45,47,49-hexamethoxy-10-(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.2~3,6~.2~8,11~.2~13,16~.2~18,21~.2~23,26~.2~28,31~]nonatetracontane-36,37,38,39,41,44,46,48-octol (non-preferred name)
8B7
8B7
表記:6-deoxy-alpha-L-galactopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranose
組成式:C18 H32 O15
SMILES:C3(OC2C(OC1C(C(C(OC1CO)O)O)O)OC(C(C2O)O)CO)C(O)C(O)C(O)C(O3)C
InChi:InChI=1S/C18H32O15/c1-4-7(21)9(23)13(27)17(29-4)33-15-10(24)8(22)5(2-19)31-18(15)32-14-6(3-20)30-16(28)12(26)11(14)25/h4-28H,2-3H2,1H3/t4-,5+,6+,7+,8-,9+,10-,11+,12+,13-,14+,15+,16+,17-,18-/m0/s1
定義日:2017-01-17
最終更新日:2020-07-17
公開日:2017-10-18
識別子（ID）:6-deoxy-alpha-L-galactopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranose
8B9
8B9
表記:2-acetamido-2,4-dideoxy-alpha-D-xylo-hexopyranose
組成式:C8 H15 N O5
SMILES:CC(=O)N[CH]1[CH](O)C[CH](CO)O[CH]1O
InChi:InChI=1S/C8H15NO5/c1-4(11)9-7-6(12)2-5(3-10)14-8(7)13/h5-8,10,12-13H,2-3H2,1H3,(H,9,11)/t5-,6-,7+,8-/m0/s1
別名:N-[(2S,3R,4S,6S)-6-(hydroxymethyl)-2,4-bis(oxidanyl)oxan-3-yl]ethanamide
定義日:2017-06-02
最終更新日:2020-07-17
公開日:2017-10-25
識別子（ID）:~{N}-[(2~{S},3~{R},4~{S},6~{S})-6-(hydroxymethyl)-2,4-bis(oxidanyl)oxan-3-yl]ethanamide
QMZ
QMZ
表記:[(3~{S})-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
組成式:C20 H23 N5 O4
SMILES:COc1cc(cc(OC)c1OC)C(=O)N2CCC[CH](C2)c3ccnc4ncnn34
InChi:InChI=1S/C20H23N5O4/c1-27-16-9-14(10-17(28-2)18(16)29-3)19(26)24-8-4-5-13(11-24)15-6-7-21-20-22-12-23-25(15)20/h6-7,9-10,12-13H,4-5,8,11H2,1-3H3/t13-/m0/s1
定義日:2020-07-06
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:[(3~{S})-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
3MG
3MG
表記:3-O-methyl-beta-D-glucopyranose
組成式:C7 H14 O6
SMILES:O(C1C(O)C(OC(O)C1O)CO)C
InChi:InChI=1S/C7H14O6/c1-12-6-4(9)3(2-8)13-7(11)5(6)10/h3-11H,2H2,1H3/t3-,4-,5-,6+,7-/m1/s1
別名:3-O-methyl-beta-D-glucose
定義日:2007-08-22
最終更新日:2020-07-17
識別子（ID）:3-O-methyl-beta-D-glucopyranose
3MK
3MK
表記:beta-L-altropyranose
組成式:C6 H12 O6
SMILES:OC1C(O)C(OC(O)C1O)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-/m0/s1
別名:beta-L-altrose
定義日:2010-04-19
最終更新日:2020-07-17
公開日:2020-07-29
識別子（ID）:beta-L-altropyranose
HNV
HNV
表記:3-(4-methoxyphenyl)prop-2-yn-1-yl alpha-D-mannopyranoside
組成式:C16 H20 O7
SMILES:C(#Cc1ccc(OC)cc1)COC2OC(C(O)C(O)C2O)CO
InChi:InChI=1S/C16H20O7/c1-21-11-6-4-10(5-7-11)3-2-8-22-16-15(20)14(19)13(18)12(9-17)23-16/h4-7,12-20H,8-9H2,1H3/t12-,13-,14+,15+,16+/m1/s1
別名:3-(4-methoxyphenyl)prop-2-yn-1-yl alpha-D-mannoside
定義日:2012-05-09
最終更新日:2020-07-17
識別子（ID）:3-(4-methoxyphenyl)prop-2-yn-1-yl alpha-D-mannopyranoside
HNW
HNW
表記:4-(3-hydroxyprop-1-yn-1-yl)phenyl alpha-D-mannopyranoside
組成式:C15 H18 O7
SMILES:O(c1ccc(C#CCO)cc1)C2OC(C(O)C(O)C2O)CO
InChi:InChI=1S/C15H18O7/c16-7-1-2-9-3-5-10(6-4-9)21-15-14(20)13(19)12(18)11(8-17)22-15/h3-6,11-20H,7-8H2/t11-,12-,13+,14+,15+/m1/s1
別名:D-MANNOSE ALPHA1O P-HYDROXYPROPYNYL-PHENYL
定義日:2012-05-17
最終更新日:2020-07-17
識別子（ID）:4-(3-hydroxyprop-1-yn-1-yl)phenyl alpha-D-mannopyranoside
3R3
3R3
表記:[[[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]oxy-oxidanyl-phosphoryl]amino]phosphonic acid
組成式:C5 H14 N O13 P3
SMILES:O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)O[P](O)(=O)N[P](O)(O)=O
InChi:InChI=1S/C5H14NO13P3/c7-3-2(1-17-22(14,15)16)18-5(4(3)8)19-21(12,13)6-20(9,10)11/h2-5,7-8H,1H2,(H2,14,15,16)(H4,6,9,10,11,12,13)/t2-,3-,4-,5-/m1/s1
定義日:2014-10-13
最終更新日:2020-07-17
公開日:2015-12-23
識別子（ID）:[[[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]oxy-oxidanyl-phosphoryl]amino]phosphonic acid

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