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4RS
4RS
表記:trehalose mono-butyrate
組成式:C16 H28 O12
SMILES:C2(OC1C(C(O)C(O)C(COC(=O)CCC)O1)O)C(O)C(C(C(O2)CO)O)O
InChi:InChI=1S/C16H28O12/c1-2-3-8(18)25-5-7-10(20)12(22)14(24)16(27-7)28-15-13(23)11(21)9(19)6(4-17)26-15/h6-7,9-17,19-24H,2-5H2,1H3/t6-,7-,9-,10-,11+,12+,13-,14-,15-,16-/m1/s1
別名:6-O-butanoyl-alpha-D-glucopyranosyl alpha-D-glucopyranoside
定義日:2015-05-15
最終更新日:2020-07-17
公開日:2016-05-25
識別子（ID）:6-O-butanoyl-alpha-D-glucopyranosyl alpha-D-glucopyranoside
TCB
TCB
表記:THIOCELLOBIOSE
組成式:C12 H22 O10 S
SMILES:S(C1C(OC(O)C(O)C1O)CO)C2OC(C(O)C(O)C2O)CO
InChi:InChI=1S/C12H22O10S/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12+/m1/s1
定義日:2001-04-16
最終更新日:2020-07-17
識別子（ID）:4-S-beta-D-glucopyranosyl-4-thio-beta-D-glucopyranose
TCG
TCG
表記:2-deoxy-2-(trimethylammonio)-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-(acety lamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranose
組成式:C33 H59 N4 O20
SMILES:O=C(NC4C(O)C(OC3OC(CO)C(OC2OC(C(OC1OC(C(O)C(O)C1[N+](C)(C)C)CO)C(O)C2NC(=O)C)CO)C(O)C3NC(=O)C)C(OC4O)CO)C
InChi:InChI=1S/C33H58N4O20/c1-11(42)34-18-23(46)27(15(8-39)51-30(18)50)55-31-19(35-12(2)43)24(47)28(16(9-40)53-31)56-32-20(36-13(3)44)25(48)29(17(10-41)54-32)57-33-21(37(4,5)6)26(49)22(45)14(7-38)52-33/h14-33,38-41,45-50H,7-10H2,1-6H3,(H2-,34,35,36,42,43,44)/p+1/t14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31+,32+,33+/m1/s1
別名:TMG-chitotriomycin
定義日:2012-06-14
最終更新日:2020-07-17
公開日:2013-01-11
識別子（ID）:2-deoxy-2-(trimethylammonio)-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranose
4SG
4SG
表記:4-thio-alpha-D-glucopyranose
組成式:C6 H12 O5 S
SMILES:OC1C(S)C(OC(O)C1O)CO
InChi:InChI=1S/C6H12O5S/c7-1-2-5(12)3(8)4(9)6(10)11-2/h2-10,12H,1H2/t2-,3-,4-,5-,6+/m1/s1
定義日:2012-08-08
最終更新日:2020-07-17
公開日:2020-07-29
識別子（ID）:4-thio-alpha-D-glucopyranose
TDG
TDG
表記:THIODIGALACTOSIDE
組成式:C12 H22 O10 S
SMILES:O2C(SC1OC(C(O)C(O)C1O)CO)C(O)C(O)C(O)C2CO
InChi:InChI=1S/C12H22O10S/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11+,12+/m1/s1
定義日:1999-07-08
最終更新日:2020-07-17
識別子（ID）:beta-D-galactopyranosyl 1-thio-beta-D-galactopyranoside
B8D
B8D
表記:4-O-methyl-alpha-D-glucopyranose
組成式:C7 H14 O6
SMILES:OC1C(OC)C(OC(O)C1O)CO
InChi:InChI=1S/C7H14O6/c1-12-6-3(2-8)13-7(11)5(10)4(6)9/h3-11H,2H2,1H3/t3-,4-,5-,6-,7+/m1/s1
別名:4-O-methyl-alpha-D-glucose
定義日:2009-08-18
最終更新日:2020-07-17
識別子（ID）:4-O-methyl-alpha-D-glucopyranose
TEU
TEU
表記:1-O-alpha-D-glucopyranosyl-D-fructose
組成式:C12 H22 O11
SMILES:O=C(COC1OC(C(O)C(O)C1O)CO)C(O)C(O)C(O)CO
InChi:InChI=1S/C12H22O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h4,6-15,17-21H,1-3H2/t4-,6-,7-,8-,9-,10+,11-,12+/m1/s1
別名:1-O-alpha-D-glucosyl-D-fructose
定義日:2012-10-04
最終更新日:2020-07-17
公開日:2013-09-25
識別子（ID）:1-O-alpha-D-glucopyranosyl-D-fructose
TF0
TF0
表記:2-(acetylamino)-2-deoxy-3-O-beta-D-galactopyranosyl-alpha-D-galactopyranose
組成式:C14 H25 N O11
SMILES:C2(O)C(OC1C(NC(C)=O)C(OC(C1O)CO)O)OC(CO)C(C2O)O
InChi:InChI=1S/C14H25NO11/c1-4(18)15-7-12(9(20)6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8+,9+,10+,11-,12-,13+,14+/m1/s1
別名:TF antigen
定義日:2017-08-17
最終更新日:2020-07-17
公開日:2018-02-28
識別子（ID）:2-(acetylamino)-2-deoxy-3-O-beta-D-galactopyranosyl-alpha-D-galactopyranose
B9D
B9D
表記:5-fluoro-alpha-L-idopyranose
組成式:C6 H11 F O6
SMILES:FC1(OC(O)C(O)C(O)C1O)CO
InChi:InChI=1S/C6H11FO6/c7-6(1-8)4(11)2(9)3(10)5(12)13-6/h2-5,8-12H,1H2/t2-,3-,4+,5-,6+/m1/s1
別名:(2R,3R,4R,5S,6R)-6-fluoranyl-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
定義日:2009-08-18
最終更新日:2020-07-17
識別子（ID）:(2R,3R,4R,5S,6R)-6-fluoro-6-(hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrol (non-preferred name)
TFU
TFU
表記:methyl 1-seleno-beta-L-fucopyranoside
組成式:C7 H14 O4 Se
SMILES:C[Se][CH]1O[CH](C)[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C7H14O4Se/c1-3-4(8)5(9)6(10)7(11-3)12-2/h3-10H,1-2H3/t3-,4+,5+,6-,7+/m0/s1
別名:(2S,3S,4R,5S,6R)-2-methyl-6-methylselanyl-oxane-3,4,5-triol
定義日:2015-11-12
最終更新日:2020-07-17
公開日:2016-06-29
識別子（ID）:(2~{S},3~{S},4~{R},5~{S},6~{R})-2-methyl-6-methylselanyl-oxane-3,4,5-triol
TGA
TGA
表記:2-sulfanylethyl beta-D-galactopyranoside
組成式:C8 H16 O6 S
SMILES:OC[CH]1O[CH](OCCS)[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C8H16O6S/c9-3-4-5(10)6(11)7(12)8(14-4)13-1-2-15/h4-12,15H,1-3H2/t4-,5+,6+,7-,8-/m1/s1
別名:METHANETHIOSULFONYL-GALACTOSIDE
定義日:2011-01-19
最終更新日:2020-07-17
識別子（ID）:(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(2-sulfanylethoxy)oxane-3,4,5-triol
TGK
TGK
表記:1-deoxy-beta-L-tagatopyranose
組成式:C6 H12 O5
SMILES:C1(C(C(C(CO1)O)O)O)(C)O
InChi:InChI=1S/C6H12O5/c1-6(10)5(9)4(8)3(7)2-11-6/h3-5,7-10H,2H2,1H3/t3-,4+,5+,6-/m0/s1
別名:1-deoxy-beta-L-tagatose
定義日:2015-03-27
最終更新日:2020-07-17
公開日:2016-03-23
識別子（ID）:1-deoxy-beta-L-tagatopyranose
TGR
TGR
表記:1-deoxy-alpha-D-xylo-hex-3-ulofuranose
組成式:C6 H12 O5
SMILES:CC(C1(OCC(C1O)O)O)O
InChi:InChI=1S/C6H12O5/c1-3(7)6(10)5(9)4(8)2-11-6/h3-5,7-10H,2H2,1H3/t3-,4+,5-,6-/m0/s1
別名:1-deoxy 3-keto D-galactitol(Furanose form)
定義日:2015-03-27
最終更新日:2020-07-17
公開日:2016-03-23
識別子（ID）:1-deoxy-alpha-D-xylo-hex-3-ulofuranose
TGY
TGY
表記:1-deoxy-alpha-D-tagatopyranose
組成式:C6 H12 O5
SMILES:C1(O)C(O)C(C(O)(C)OC1)O
InChi:InChI=1S/C6H12O5/c1-6(10)5(9)4(8)3(7)2-11-6/h3-5,7-10H,2H2,1H3/t3-,4+,5+,6+/m1/s1
別名:1-deoxy-alpha-D-tagatose
定義日:2015-03-26
最終更新日:2020-07-17
公開日:2016-03-23
識別子（ID）:1-deoxy-alpha-D-tagatopyranose
TH1
TH1
表記:(1R)-1,5-anhydro-1-(5-methyl-1,3-benzothiazol-2-yl)-D-glucitol
組成式:C14 H17 N O5 S
SMILES:n1c3cc(ccc3sc1C2OC(CO)C(O)C(O)C2O)C
InChi:InChI=1S/C14H17NO5S/c1-6-2-3-9-7(4-6)15-14(21-9)13-12(19)11(18)10(17)8(5-16)20-13/h2-4,8,10-13,16-19H,5H2,1H3/t8-,10-,11+,12-,13-/m1/s1
別名:2-(BETA-D-GLUCOPYRANOSYL)-5-METHYL-BENZOTHIAZOLE
定義日:2004-10-05
最終更新日:2020-07-17
識別子（ID）:(1R)-1,5-anhydro-1-(5-methyl-1,3-benzothiazol-2-yl)-D-glucitol
BBK
BBK
表記:2-acetamido-2-deoxy-5-thio-alpha-D-galactopyranose
組成式:C8 H15 N O5 S
SMILES:C1(O)C(C(O)C(C(S1)CO)O)NC(C)=O
InChi:InChI=1S/C8H15NO5S/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+/m1/s1
別名:2-(acetylamino)-2-deoxy-5-thio-alpha-D-galactopyranose
定義日:2014-04-30
最終更新日:2020-07-17
公開日:2014-05-28
識別子（ID）:2-(acetylamino)-2-deoxy-5-thio-alpha-D-galactopyranose
BBV
BBV
表記:benzyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside
組成式:C15 H21 N O6
SMILES:O=C(NC2C(O)C(O)C(OC2OCc1ccccc1)CO)C
InChi:InChI=1S/C15H21NO6/c1-9(18)16-12-14(20)13(19)11(7-17)22-15(12)21-8-10-5-3-2-4-6-10/h2-6,11-15,17,19-20H,7-8H2,1H3,(H,16,18)/t11-,12-,13-,14-,15+/m1/s1
別名:benzyl 2-(acetylamino)-2-deoxy-alpha-D-glucopyranoside
定義日:2012-04-09
最終更新日:2020-07-17
識別子（ID）:benzyl 2-(acetylamino)-2-deoxy-alpha-D-glucopyranoside
BCD
BCD
表記:BETA-CYCLODEXTRIN
組成式:C42 H70 O35
SMILES:O1C8C(O)C(O)C(OC7C(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)OC8CO
InChi:InChI=1S/C42H70O35/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-49)69-41(27(62)20(35)55)75-33-12(5-47)67-39(25(60)18(33)53)73-31-10(3-45)65-37(71-29)23(58)16(31)51/h8-63H,1-7H2/t8-,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-,37-,38-,39-,40-,41-,42-/m1/s1
別名:CYCLO-HEPTA-AMYLOSE
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,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-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-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol (non-preferred name)
BCW
BCW
表記:6-deoxy-alpha-L-galactopyranosyl-(1->4)-[6-deoxy-alpha-L-galactopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->3)]-2-(ace tylamino)-2-deoxy-alpha-D-glucopyranose
組成式:C26 H45 N O19
SMILES:C[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](CO)O[CH]2O[CH]3[CH](NC(C)=O)[CH](O)O[CH](CO)[CH]3O[CH]4O[CH](C)[CH](O)[CH](O)[CH]4O)[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C26H45NO19/c1-6-12(31)15(34)18(37)24(40-6)44-20-10(5-29)42-23(39)11(27-8(3)30)21(20)45-26-22(17(36)14(33)9(4-28)43-26)46-25-19(38)16(35)13(32)7(2)41-25/h6-7,9-26,28-29,31-39H,4-5H2,1-3H3,(H,27,30)/t6-,7-,9+,10+,11+,12+,13+,14-,15+,16+,17-,18-,19-,20+,21+,22+,23-,24-,25-,26-/m0/s1
定義日:2010-01-26
最終更新日:2020-07-17
識別子（ID）:N-[(2S,3R,4R,5S,6R)-4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-oxan-3-yl]ethanamide
BDF
BDF
表記:beta-D-fructopyranose
組成式:C6 H12 O6
SMILES:OC1C(O)(OCC(O)C1O)CO
InChi:InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1
別名:beta-D-fructose
定義日:2002-11-01
最終更新日:2020-07-17
識別子（ID）:beta-D-fructopyranose
BDG
BDG
表記:2,6-diamino-2,6-dideoxy-alpha-D-glucopyranose
組成式:C6 H14 N2 O4
SMILES:OC1C(O)C(OC(O)C1N)CN
InChi:InChI=1S/C6H14N2O4/c7-1-2-4(9)5(10)3(8)6(11)12-2/h2-6,9-11H,1,7-8H2/t2-,3-,4-,5-,6+/m1/s1
別名:O-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-D-GLUCOPYRANOSE
定義日:1999-07-08
最終更新日:2020-07-17
識別子（ID）:2,6-diamino-2,6-dideoxy-alpha-D-glucopyranose
BDP
BDP
表記:beta-D-glucopyranuronic 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:beta-D-glucuronic acid
定義日:2001-11-26
最終更新日:2020-07-17
識別子（ID）:beta-D-glucopyranuronic acid
BDR
BDR
表記:beta-D-ribofuranose
組成式:C5 H10 O5
SMILES:OC1C(OC(O)C1O)CO
InChi:InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4-,5-/m1/s1
別名:beta-D-ribose
定義日:1999-07-08
最終更新日:2020-07-17
識別子（ID）:beta-D-ribofuranose
BDZ
BDZ
表記:6-deoxy-alpha-L-galactopyranosyl-(1->3)-[6-deoxy-alpha-L-galactopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->4)]-2-(ace tylamino)-2-deoxy-beta-D-glucopyranose
組成式:C26 H45 N O19
SMILES:C[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](CO)O[CH]2O[CH]3[CH](CO)O[CH](O)[CH](NC(C)=O)[CH]3O[CH]4O[CH](C)[CH](O)[CH](O)[CH]4O)[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C26H45NO19/c1-6-12(31)15(34)18(37)24(40-6)45-21-11(27-8(3)30)23(39)42-10(5-29)20(21)44-26-22(17(36)14(33)9(4-28)43-26)46-25-19(38)16(35)13(32)7(2)41-25/h6-7,9-26,28-29,31-39H,4-5H2,1-3H3,(H,27,30)/t6-,7-,9+,10+,11+,12+,13+,14-,15+,16+,17-,18-,19-,20+,21+,22+,23+,24-,25-,26-/m0/s1
定義日:2010-01-26
最終更新日:2020-07-17
識別子（ID）:N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-oxan-3-yl]ethanamide
SQ7
SQ7
表記:3-(4-chlorophenyl)imidazole-2,4-dione
組成式:C9 H5 Cl N2 O2
SMILES:Clc1ccc(cc1)N2C(=O)C=NC2=O
InChi:InChI=1S/C9H5ClN2O2/c10-6-1-3-7(4-2-6)12-8(13)5-11-9(12)14/h1-5H
定義日:2020-03-11
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:3-(4-chlorophenyl)imidazole-2,4-dione

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