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1SD
1SD
表記:(1S)-1,5-anhydro-1-sulfamoyl-D-galactitol
組成式:C6 H13 N O7 S
SMILES:O=S(=O)(N)C1OC(C(O)C(O)C1O)CO
InChi:InChI=1S/C6H13NO7S/c7-15(12,13)6-5(11)4(10)3(9)2(1-8)14-6/h2-6,8-11H,1H2,(H2,7,12,13)/t2-,3+,4+,5-,6+/m1/s1
別名:(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-sulfonamide
定義日:2009-06-02
最終更新日:2020-07-17
識別子（ID）:(1S)-1,5-anhydro-1-sulfamoyl-D-galactitol
RM4
RM4
表記:beta-L-rhamnopyranose
組成式:C6 H12 O5
SMILES:OC1C(O)C(OC(O)C1O)C
InChi:InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5+,6-/m0/s1
別名:beta-L-rhamnose
定義日:2008-10-22
最終更新日:2020-07-17
識別子（ID）:6-deoxy-beta-L-mannopyranose
1X4
1X4
表記:2,3-dideoxy-5-O-phosphono-alpha-D-ribofuranose
組成式:C5 H11 O6 P
SMILES:O=P(OCC1OC(O)CC1)(O)O
InChi:InChI=1S/C5H11O6P/c6-5-2-1-4(11-5)3-10-12(7,8)9/h4-6H,1-3H2,(H2,7,8,9)/t4-,5-/m0/s1
別名:2,3-dideoxyribose-5-phosphate
定義日:2013-07-22
最終更新日:2020-07-17
公開日:2013-07-31
識別子（ID）:[(2S,5S)-5-hydroxytetrahydrofuran-2-yl]methyl dihydrogen phosphate
Q6B
Q6B
表記:[(6~{S},7~{S},9~{Z},12~{R})-12-[(~{Z},2~{S},6~{R},7~{R},9~{R})-4,6-dimethyl-7,9-bis(oxidanyl)dec-4-en-2-yl]-7,9-dimethyl-2-oxidanylidene-1-oxacyclododec-9-en-6-yl] (2~{E},4~{E},6~{E},8~{E},10~{E},12~{S},13~{S},15~{S})-4,6,10-trimethyl-12,13,15-tris(oxidanyl)hexadeca-2,4,6,8,10-pentaenoate
組成式:C44 H70 O9
SMILES:C[CH](O)C[CH](O)[CH](C)C=C(C)C[CH](C)[CH]1CC=C(C)C[CH](C)[CH](CCCC(=O)O1)OC(=O)C=CC(C)=CC(C)=CC=CC(C)=C[CH](O)[CH](O)C[CH](C)O
InChi:InChI=1S/C44H70O9/c1-28(13-11-14-29(2)25-39(48)40(49)27-37(10)46)21-30(3)18-20-44(51)52-41-15-12-16-43(50)53-42(19-17-31(4)22-34(41)7)35(8)24-32(5)23-33(6)38(47)26-36(9)45/h11,13-14,17-18,20-21,23,25,33-42,45-49H,12,15-16,19,22,24,26-27H2,1-10H3/b14-11+,20-18+,28-13+,29-25+,30-21+,31-17-,32-23-/t33-,34+,35+,36-,37+,38-,39+,40+,41+,42-/m1/s1
定義日:2020-05-22
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:[(6~{S},7~{S},9~{Z},12~{R})-12-[(~{Z},2~{S},6~{R},7~{R},9~{R})-4,6-dimethyl-7,9-bis(oxidanyl)dec-4-en-2-yl]-7,9-dimethyl-2-oxidanylidene-1-oxacyclododec-9-en-6-yl] (2~{E},4~{E},6~{E},8~{E},10~{E},12~{S},13~{S},15~{S})-4,6,10-trimethyl-12,13,15-tris(oxidanyl)hexadeca-2,4,6,8,10-pentaenoate
20S
20S
表記:BETA-D-FRUCTOFURANOSYL 6-O-OCTANOYL-ALPHA-D-GLUCOPYRANOSIDE
組成式:C20 H36 O12
SMILES:O=C(OCC2OC(OC1(OC(C(O)C1O)CO)CO)C(O)C(O)C2O)CCCCCCC
InChi:InChI=1S/C20H36O12/c1-2-3-4-5-6-7-13(23)29-9-12-14(24)16(26)17(27)19(30-12)32-20(10-22)18(28)15(25)11(8-21)31-20/h11-12,14-19,21-22,24-28H,2-10H2,1H3/t11-,12-,14-,15-,16+,17-,18+,19-,20+/m1/s1
定義日:2006-01-05
最終更新日:2020-07-17
識別子（ID）:beta-D-fructofuranosyl 6-O-octanoyl-alpha-D-glucopyranoside
20X
20X
表記:N-({(2E)-2-[(4-fluorophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
組成式:C14 H18 F N3 O5 S
SMILES:S=C(NC1OC(C(O)C(O)C1O)CO)N/N=C/c2ccc(F)cc2
InChi:InChI=1S/C14H18FN3O5S/c15-8-3-1-7(2-4-8)5-16-18-14(24)17-13-12(22)11(21)10(20)9(6-19)23-13/h1-5,9-13,19-22H,6H2,(H2,17,18,24)/b16-5+/t9-,10-,11+,12-,13-/m1/s1
別名:4-fluorobenzaldehyde-4-(beta-D-glucopyranosyl)-thiosemicarbazone
定義日:2010-04-30
最終更新日:2020-07-17
識別子（ID）:N-{[(2E)-2-(4-fluorobenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine
22O
22O
表記:N-({(2E)-2-[(3-bromophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
組成式:C14 H18 Br N3 O5 S
SMILES:S=C(NC1OC(C(O)C(O)C1O)CO)N/N=C/c2cccc(Br)c2
InChi:InChI=1S/C14H18BrN3O5S/c15-8-3-1-2-7(4-8)5-16-18-14(24)17-13-12(22)11(21)10(20)9(6-19)23-13/h1-5,9-13,19-22H,6H2,(H2,17,18,24)/b16-5+/t9-,10-,11+,12-,13-/m1/s1
別名:3-bromobenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone
定義日:2010-05-03
最終更新日:2020-07-17
識別子（ID）:N-{[(2E)-2-(3-bromobenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine
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
3YW
3YW
表記:(2S)-2,3-dihydroxypropyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside
組成式:C11 H21 N O8
SMILES:O=C(NC1C(O)C(O)C(OC1OCC(O)CO)CO)C
InChi:InChI=1S/C11H21NO8/c1-5(15)12-8-10(18)9(17)7(3-14)20-11(8)19-4-6(16)2-13/h6-11,13-14,16-18H,2-4H2,1H3,(H,12,15)/t6-,7+,8+,9+,10+,11-/m0/s1
別名:(2S)-2,3-dihydroxypropyl 2-(acetylamino)-2-deoxy-alpha-D-glucopyranoside
定義日:2014-12-10
最終更新日:2020-07-17
公開日:2015-02-25
識別子（ID）:(2S)-2,3-dihydroxypropyl 2-(acetylamino)-2-deoxy-alpha-D-glucopyranoside
40J
40J
表記:1,6-dichloro-1,6-dideoxy-beta-D-fructofuranosyl 4-chloro-4-deoxy-alpha-D-galactopyranoside
組成式:C12 H19 Cl3 O8
SMILES:ClC2C(OC(OC1(OC(C(O)C1O)CCl)CCl)C(O)C2O)CO
InChi:InChI=1S/C12H19Cl3O8/c13-1-4-7(17)10(20)12(3-14,22-4)23-11-9(19)8(18)6(15)5(2-16)21-11/h4-11,16-20H,1-3H2/t4-,5-,6+,7-,8+,9-,10+,11-,12+/m1/s1
別名:sucralose
定義日:2015-01-02
最終更新日:2020-07-17
公開日:2015-12-23
識別子（ID）:1,6-dichloro-1,6-dideoxy-beta-D-fructofuranosyl 4-chloro-4-deoxy-alpha-D-galactopyranoside
TA6
TA6
表記:6-O-phosphono-beta-D-tagatofuranose
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:6-O-phosphono-beta-D-tagatose
定義日:2006-03-24
最終更新日:2020-07-17
識別子（ID）:6-O-phosphono-beta-D-tagatofuranose
445
445
表記:N-[oxo(phenylamino)acetyl]-beta-D-glucopyranosylamine
組成式:C14 H18 N2 O7
SMILES:O=C(NC1OC(C(O)C(O)C1O)CO)C(=O)Nc2ccccc2
InChi:InChI=1S/C14H18N2O7/c17-6-8-9(18)10(19)11(20)14(23-8)16-13(22)12(21)15-7-4-2-1-3-5-7/h1-5,8-11,14,17-20H,6H2,(H,15,21)(H,16,22)/t8-,9-,10+,11-,14-/m1/s1
別名:N-[oxo(phenylamino)acetyl]-beta-D-glucosylamine
定義日:2008-04-23
最終更新日:2020-07-17
識別子（ID）:N-[oxo(phenylamino)acetyl]-beta-D-glucopyranosylamine
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
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
475
475
表記:N-[oxo(pyridin-2-ylamino)acetyl]-beta-D-glucopyranosylamine
組成式:C13 H17 N3 O7
SMILES:O=C(NC1OC(C(O)C(O)C1O)CO)C(=O)Nc2ncccc2
InChi:InChI=1S/C13H17N3O7/c17-5-6-8(18)9(19)10(20)13(23-6)16-12(22)11(21)15-7-3-1-2-4-14-7/h1-4,6,8-10,13,17-20H,5H2,(H,16,22)(H,14,15,21)/t6-,8-,9+,10-,13-/m1/s1
別名:N-[oxo(pyridin-2-ylamino)acetyl]-beta-D-glucosylamine
定義日:2008-04-23
最終更新日:2020-07-17
識別子（ID）:N-[oxo(pyridin-2-ylamino)acetyl]-beta-D-glucopyranosylamine
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
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
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
56N
56N
表記:phenyl beta-D-galactopyranoside
組成式:C12 H16 O6
SMILES:OC1C(OC(C(O)C1O)CO)Oc2ccccc2
InChi:InChI=1S/C12H16O6/c13-6-8-9(14)10(15)11(16)12(18-8)17-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9+,10+,11-,12-/m1/s1
別名:phenyl beta-D-galactoside
定義日:2015-08-05
最終更新日:2020-07-17
公開日:2015-11-25
識別子（ID）:phenyl beta-D-galactopyranoside
57S
57S
表記:4-O-[2-acetamido-2-deoxy-beta-D-glucopyranosyl]-5-O-phosphono-D-ribitol
組成式:C13 H26 N O13 P
SMILES:C1(C(NC(C)=O)C(C(C(O1)CO)O)O)OC(COP(O)(O)=O)C(O)C(CO)O
InChi:InChI=1S/C13H26NO13P/c1-5(17)14-9-12(21)11(20)7(3-16)26-13(9)27-8(4-25-28(22,23)24)10(19)6(18)2-15/h6-13,15-16,18-21H,2-4H2,1H3,(H,14,17)(H2,22,23,24)/t6-,7+,8+,9+,10-,11+,12+,13-/m0/s1
別名:4-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-5-O-phosphono-D-ribitol
定義日:2015-08-12
最終更新日:2020-07-17
公開日:2015-11-11
識別子（ID）:4-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-5-O-phosphono-D-ribitol

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