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UMY
UMY
Name:7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-5-fluoro-8-methylnaphthalene-2-carbonitrile
Formula:C24 H18 F N3 O4
SMILES:c2(c1c(cc(cc1)C#N)c(C)c(c2)Oc4ccccc4OCCN3C=CC(=O)NC3=O)F
InChi:InChI=1S/C24H18FN3O4/c1-15-18-12-16(14-26)6-7-17(18)19(25)13-22(15)32-21-5-3-2-4-20(21)31-11-10-28-9-8-23(29)27-24(28)30/h2-9,12-13H,10-11H2,1H3,(H,27,29,30)
Definition date:2020-05-25
Last modified:2020-07-17
Release date:2020-07-22
Identifier:7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-5-fluoro-8-methylnaphthalene-2-carbonitrile
ZCZ
ZCZ
Name:4,6-dideoxy-4-{[(2R)-2,4-dihydroxybutanoyl]amino}-2-O-methyl-alpha-D-mannopyranose
Formula:C11 H21 N O7
SMILES:O=C(NC1C(OC(O)C(OC)C1O)C)C(O)CCO
InChi:InChI=1S/C11H21NO7/c1-5-7(12-10(16)6(14)3-4-13)8(15)9(18-2)11(17)19-5/h5-9,11,13-15,17H,3-4H2,1-2H3,(H,12,16)/t5-,6-,7-,8+,9+,11+/m1/s1
Definition date:2012-12-17
Last modified:2020-07-17
Release date:2020-07-29
Identifier:4,6-dideoxy-4-{[(2R)-2,4-dihydroxybutanoyl]amino}-2-O-methyl-alpha-D-mannopyranose
ZD0
ZD0
Name:methyl 4,6-dideoxy-4-{[(2R)-2,4-dihydroxybutanoyl]amino}-alpha-D-mannopyranoside
Formula:C11 H21 N O7
SMILES:O=C(NC1C(OC(OC)C(O)C1O)C)C(O)CCO
InChi:InChI=1S/C11H21NO7/c1-5-7(12-10(17)6(14)3-4-13)8(15)9(16)11(18-2)19-5/h5-9,11,13-16H,3-4H2,1-2H3,(H,12,17)/t5-,6-,7-,8+,9+,11+/m1/s1
Definition date:2012-12-17
Last modified:2020-07-17
Release date:2020-07-29
Identifier:methyl 4,6-dideoxy-4-{[(2R)-2,4-dihydroxybutanoyl]amino}-alpha-D-mannopyranoside
SN5
SN5
Name:2-deoxy-2-(ethanethioylamino)-beta-D-glucopyranose
Formula:C8 H15 N O5 S
SMILES:S=C(NC1C(O)C(O)C(OC1O)CO)C
InChi:InChI=1S/C8H15NO5S/c1-3(15)9-5-7(12)6(11)4(2-10)14-8(5)13/h4-8,10-13H,2H2,1H3,(H,9,15)/t4-,5-,6-,7-,8-/m1/s1
Synonyms:N-ethanethioyl-beta-D-glucosamine
Definition date:2009-06-04
Last modified:2020-07-17
Identifier:2-deoxy-2-(ethanethioylamino)-beta-D-glucopyranose
TVD
TVD
Name:N-acetyl-2-(acetylamino)-2-deoxy-beta-D-glucopyranosylamine
Formula:C10 H18 N2 O6
SMILES:O=C(C)NC1C(O)C(O)C(OC1NC(C)=O)CO
InChi:InChI=1S/C10H18N2O6/c1-4(14)11-7-9(17)8(16)6(3-13)18-10(7)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
Definition date:2020-04-01
Last modified:2020-07-17
Release date:2020-07-29
Identifier:N-acetyl-2-(acetylamino)-2-deoxy-beta-D-glucopyranosylamine
ZDC
ZDC
Name:3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid
Formula:C8 H14 O6
SMILES:O=C(O)CC1OC(C(O)C(O)C1O)C
InChi:InChI=1S/C8H14O6/c1-3-6(11)8(13)7(12)4(14-3)2-5(9)10/h3-4,6-8,11-13H,2H2,1H3,(H,9,10)/t3-,4-,6+,7+,8+/m0/s1
Definition date:2012-12-17
Last modified:2020-07-17
Release date:2016-02-10
Identifier:3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid
TH1
TH1
Name:(1R)-1,5-anhydro-1-(5-methyl-1,3-benzothiazol-2-yl)-D-glucitol
Formula: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
Synonyms:2-(BETA-D-GLUCOPYRANOSYL)-5-METHYL-BENZOTHIAZOLE
Definition date:2004-10-05
Last modified:2020-07-17
Identifier:(1R)-1,5-anhydro-1-(5-methyl-1,3-benzothiazol-2-yl)-D-glucitol
TVG
TVG
Name:propyl beta-D-galactofuranoside
Formula:C9 H18 O6
SMILES:OC1C(OC(C1O)OCCC)C(CO)O
InChi:InChI=1S/C9H18O6/c1-2-3-14-9-7(13)6(12)8(15-9)5(11)4-10/h5-13H,2-4H2,1H3/t5-,6-,7-,8+,9-/m1/s1
Definition date:2020-04-01
Last modified:2020-07-17
Release date:2020-07-29
Identifier:propyl beta-D-galactofuranoside
5KQ
5KQ
Name:(6R)-5-acetamido-6-[(1S,2S)-3-acetamido-1,2-dihydroxypropyl]-3,5-dideoxy-beta-L-threo-hex-2-ulopyranosonic acid
Formula:C13 H22 N2 O9
SMILES:CC(=O)NC1C(OC(CC1O)(O)C(O)=O)C(O)C(CNC(=O)C)O
InChi:InChI=1S/C13H22N2O9/c1-5(16)14-4-8(19)10(20)11-9(15-6(2)17)7(18)3-13(23,24-11)12(21)22/h7-11,18-20,23H,3-4H2,1-2H3,(H,14,16)(H,15,17)(H,21,22)/t7-,8-,9+,10-,11+,13+/m0/s1
Synonyms:(6R)-5-(acetylamino)-6-[(1S,2S)-3-(acetylamino)-1,2-dihydroxypropyl]-3,5-dideoxy-beta-L-threo-hex-2-ulopyranosonic acid
Definition date:2015-10-14
Last modified:2020-07-17
Release date:2016-03-23
Identifier:(6R)-5-(acetylamino)-6-[(1S,2S)-3-(acetylamino)-1,2-dihydroxypropyl]-3,5-dideoxy-beta-L-threo-hex-2-ulopyranosonic acid
SNG
SNG
Name:methyl 2-acetamido-2-deoxy-1-seleno-beta-D-glucopyranoside
Formula:C9 H17 N O5 Se
SMILES:O=C(NC1C(O)C(O)C(OC1[Se]C)CO)C
InChi:InChI=1S/C9H17NO5Se/c1-4(12)10-6-8(14)7(13)5(3-11)15-9(6)16-2/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6-,7-,8-,9+/m1/s1
Synonyms:METHYL 2-ACETAMIDO-1,2-DIDEOXY-1-SELENO-BETA-D-GLUCOPYRANOSIDE
Definition date:2002-12-20
Last modified:2020-07-17
Identifier:methyl 2-(acetylamino)-2-deoxy-1-seleno-beta-D-glucopyranoside
RTG
RTG
Name:6-O-phosphono-alpha-L-idopyranose
Formula:C6 H13 O9 P
SMILES:O=P(O)(OCC1OC(C(C(C1O)O)O)O)O
InChi:InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3+,4-,5+,6+/m0/s1
Definition date:2020-02-25
Last modified:2020-07-17
Release date:2020-07-29
Identifier:6-O-phosphono-alpha-L-idopyranose
TVM
TVM
Name:3-O-[(3-methoxyphenyl)methyl]-beta-D-galactopyranose
Formula:C14 H20 O7
SMILES:C2(O)C(OCc1cc(ccc1)OC)C(C(OC2CO)O)O
InChi:InChI=1S/C14H20O7/c1-19-9-4-2-3-8(5-9)7-20-13-11(16)10(6-15)21-14(18)12(13)17/h2-5,10-18H,6-7H2,1H3/t10-,11+,12-,13+,14-/m1/s1
Definition date:2020-04-01
Last modified:2020-07-17
Release date:2020-07-29
Identifier:3-O-[(3-methoxyphenyl)methyl]-beta-D-galactopyranose
ZDO
ZDO
Name:methyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside
Formula:C7 H15 N O11 S2
SMILES:O=S(=O)(O)OCC1OC(OC)C(NS(=O)(=O)O)C(O)C1O
InChi:InChI=1S/C7H15NO11S2/c1-17-7-4(8-20(11,12)13)6(10)5(9)3(19-7)2-18-21(14,15)16/h3-10H,2H2,1H3,(H,11,12,13)(H,14,15,16)/t3-,4-,5-,6-,7+/m1/s1
Definition date:2012-12-19
Last modified:2020-07-17
Release date:2020-07-29
Identifier:methyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside
SNJ
SNJ
Name:2,5-diphenyl-4~{H}-pyrazol-3-one
Formula:C15 H12 N2 O
SMILES:O=C1CC(=NN1c2ccccc2)c3ccccc3
InChi:InChI=1S/C15H12N2O/c18-15-11-14(12-7-3-1-4-8-12)16-17(15)13-9-5-2-6-10-13/h1-10H,11H2
Definition date:2020-03-11
Last modified:2020-07-17
Release date:2020-07-22
Identifier:2,5-diphenyl-4~{H}-pyrazol-3-one
RF5
RF5
Name:2-deoxy-2-fluoro-5-O-phosphono-alpha-D-arabinofuranose
Formula:C5 H10 F O7 P
SMILES:FC1C(O)C(OC1O)COP(=O)(O)O
InChi:InChI=1S/C5H10FO7P/c6-3-4(7)2(13-5(3)8)1-12-14(9,10)11/h2-5,7-8H,1H2,(H2,9,10,11)/t2-,3+,4-,5+/m1/s1
Synonyms:Inhibitor arabinosyl-2-fluoro-2-deoxynicotinamide mononucleotide, bound form
Definition date:2008-07-30
Last modified:2020-07-17
Identifier:2-deoxy-2-fluoro-5-O-phosphono-alpha-D-arabinofuranose
5KV
5KV
Name:2-deoxy-6-O-sulfo-2-(sulfoamino)-beta-D-glucopyranose
Formula:C6 H13 N O11 S2
SMILES:OC1C(C(C(OC1COS(=O)(O)=O)O)NS(O)(=O)=O)O
InChi:InChI=1S/C6H13NO11S2/c8-4-2(1-17-20(14,15)16)18-6(10)3(5(4)9)7-19(11,12)13/h2-10H,1H2,(H,11,12,13)(H,14,15,16)/t2-,3-,4-,5-,6-/m1/s1
Synonyms:6-O-sulfo-N-sulfo-beta-D-glucosamine
Definition date:2015-10-15
Last modified:2020-07-17
Release date:2015-11-18
Identifier:2-deoxy-6-O-sulfo-2-(sulfoamino)-beta-D-glucopyranose
UNS
UNS
Name:7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-5,8-dimethylnaphthalene-2-carbonitrile
Formula:C25 H20 F N3 O4
SMILES:c2(c1c(cc(cc1)C#N)c(C)c(c2)Oc4ccc(cc4OCCN3C=CC(=O)NC3=O)F)C
InChi:InChI=1S/C25H20FN3O4/c1-15-11-22(16(2)20-12-17(14-27)3-5-19(15)20)33-21-6-4-18(26)13-23(21)32-10-9-29-8-7-24(30)28-25(29)31/h3-8,11-13H,9-10H2,1-2H3,(H,28,30,31)
Definition date:2020-05-25
Last modified:2020-07-17
Release date:2020-07-22
Identifier:7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-5,8-dimethylnaphthalene-2-carbonitrile
TVS
TVS
Name:prop-2-en-1-yl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside
Formula:C11 H19 N O6
SMILES:CC(=O)NC1C(OC[C@H]=C)OC(CO)C(C1O)O
InChi:InChI=1S/C11H19NO6/c1-3-4-17-11-8(12-6(2)14)10(16)9(15)7(5-13)18-11/h3,7-11,13,15-16H,1,4-5H2,2H3,(H,12,14)/t7-,8-,9-,10-,11-/m1/s1
Definition date:2020-04-01
Last modified:2020-07-17
Release date:2020-07-29
Identifier:prop-2-en-1-yl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside
UAP
UAP
Name:4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid
Formula:C6 H8 O9 S
SMILES:O=C(O)C=1OC(O)C(OS(=O)(=O)O)C(O)C=1
InChi:InChI=1S/C6H8O9S/c7-2-1-3(5(8)9)14-6(10)4(2)15-16(11,12)13/h1-2,4,6-7,10H,(H,8,9)(H,11,12,13)/t2-,4+,6+/m0/s1
Synonyms:4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enuronic acid
Definition date:1999-07-08
Last modified:2020-07-17
Identifier:4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid
QMZ
QMZ
Name:[(3~{S})-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
Formula: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
Definition date:2020-07-06
Last modified:2020-07-17
Release date:2020-07-22
Identifier:[(3~{S})-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
TVV
TVV
Name:3-O-prop-2-yn-1-yl-beta-D-galactopyranose
Formula:C9 H14 O6
SMILES:C1(O)C(O)C(C(C(O1)CO)O)OCC#C
InChi:InChI=1S/C9H14O6/c1-2-3-14-8-6(11)5(4-10)15-9(13)7(8)12/h1,5-13H,3-4H2/t5-,6+,7-,8+,9-/m1/s1
Definition date:2020-04-01
Last modified:2020-07-17
Release date:2020-07-29
Identifier:3-O-prop-2-yn-1-yl-beta-D-galactopyranose
V3P
V3P
Name:4-iodophenyl 1,4-dithio-beta-D-glucopyranoside
Formula:C12 H15 I O4 S2
SMILES:C1(C(CO)OC(C(C1O)O)Sc2ccc(cc2)I)S
InChi:InChI=1S/C12H15IO4S2/c13-6-1-3-7(4-2-6)19-12-10(16)9(15)11(18)8(5-14)17-12/h1-4,8-12,14-16,18H,5H2/t8-,9-,10-,11-,12+/m1/s1
Definition date:2020-06-21
Last modified:2020-07-17
Release date:2020-07-01
Identifier:4-iodophenyl 1,4-dithio-beta-D-glucopyranoside
5L2
5L2
Name:methyl (2S,4R)-1-[(2S,3R,4R,5S,6S)-6-(acetyloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfonyl-4-sulfamoyloxy-pyrrolidine-2-carb oxylate
Formula:C14 H24 N2 O13 S2
SMILES:C1(C(C(C(C(COC(=O)C)O1)O)O)O)S(=O)(=O)N2CC(OS(=O)(=O)N)CC2C(=O)OC
InChi:InChI=1S/C14H24N2O13S2/c1-6(17)27-5-9-10(18)11(19)12(20)14(28-9)30(22,23)16-4-7(29-31(15,24)25)3-8(16)13(21)26-2/h7-12,14,18-20H,3-5H2,1-2H3,(H2,15,24,25)/t7-,8+,9+,10-,11-,12-,14+/m1/s1
Definition date:2015-10-16
Last modified:2020-07-17
Release date:2015-10-28
Identifier:methyl (2S,4R)-1-({(2S,3R,4R,5S,6S)-6-[(acetyloxy)methyl]-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl}sulfonyl)-4-(sulfamoyloxy)py rrolidine-2-carboxylate (non-preferred name)
5L3
5L3
Name:(6R)-5-O-acetyl-2,6-anhydro-6-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-L-glucitol
Formula:C13 H24 N2 O11 S2
SMILES:C1(C(OC(C)=O)C(O)C(C(CO)O1)O)S(=O)(=O)N2CCC(CC2)OS(=O)(=O)N
InChi:InChI=1S/C13H24N2O11S2/c1-7(17)24-12-11(19)10(18)9(6-16)25-13(12)27(20,21)15-4-2-8(3-5-15)26-28(14,22)23/h8-13,16,18-19H,2-6H2,1H3,(H2,14,22,23)/t9-,10+,11-,12-,13-/m1/s1
Definition date:2015-10-16
Last modified:2020-07-17
Release date:2015-10-28
Identifier:(6R)-5-O-acetyl-2,6-anhydro-6-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-L-glucitol
TVY
TVY
Name:(1S)-2-amino-1-phenylethyl alpha-D-mannopyranoside
Formula:C14 H21 N O6
SMILES:c1cccc(c1)C(OC2C(O)C(C(C(O2)CO)O)O)CN
InChi:InChI=1S/C14H21NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,6-7,15H2/t9-,10-,11-,12+,13+,14+/m1/s1
Definition date:2020-04-01
Last modified:2020-07-17
Release date:2020-07-29
Identifier:(1S)-2-amino-1-phenylethyl alpha-D-mannopyranoside

223790

數據於2024-08-14公開中

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