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B16
B16
Name:1,6-di-O-phosphono-beta-D-glucopyranose
Formula:C6 H14 O12 P2
SMILES:O=P(O)(O)OCC1OC(OP(=O)(O)O)C(O)C(O)C1O
InChi:InChI=1S/C6H14O12P2/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)/t2-,3-,4+,5-,6+/m1/s1
Synonyms:1,6-di-O-phosphono-beta-D-glucose
Definition date:2011-12-06
Last modified:2020-07-17
Identifier:1,6-di-O-phosphono-beta-D-glucopyranose
B1H
B1H
Name:(1S)-1,5-anhydro-1-(3-{4-[hydroxy(oxo)azaniumyl]phenyl}-1H-1,2,4-triazol-5-yl)-D-glucitol
Formula:C14 H17 N4 O7
SMILES:OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2[nH]nc(n2)c3ccc(cc3)[N+](O)=O
InChi:InChI=1S/C14H17N4O7/c19-5-8-9(20)10(21)11(22)12(25-8)14-15-13(16-17-14)6-1-3-7(4-2-6)18(23)24/h1-4,8-12,19-22H,5H2,(H,23,24)(H,15,16,17)/q+1/t8-,9-,10+,11-,12-/m1/s1
Synonyms:[4-[5-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1~{H}-1,2,4-triazol-3-yl]phenyl ]-oxidanyl-oxidanylidene-azanium
Definition date:2017-09-05
Last modified:2020-07-17
Release date:2018-02-28
Identifier:[4-[5-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1~{H}-1,2,4-triazol-3-yl]phenyl ]-oxidanyl-oxidanylidene-azanium
B1N
B1N
Name:(1S)-1,5-anhydro-1-(2,5-dihydroxyphenyl)-D-glucitol
Formula:C14 H17 N3 O6
SMILES:OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2[nH]nc(n2)c3ccc(O)cc3
InChi:InChI=1S/C14H17N3O6/c18-5-8-9(20)10(21)11(22)12(23-8)14-15-13(16-17-14)6-1-3-7(19)4-2-6/h1-4,8-12,18-22H,5H2,(H,15,16,17)/t8-,9-,10+,11-,12-/m1/s1
Synonyms:(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[3-(4-hydroxyphenyl)-1~{H}-1,2,4-triazol-5-yl]oxane-3,4,5-triol
Definition date:2017-09-05
Last modified:2020-07-17
Release date:2018-02-28
Identifier:(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[3-(4-hydroxyphenyl)-1~{H}-1,2,4-triazol-5-yl]oxane-3,4,5-triol
B2G
B2G
Name:GALACTOBIOSE
Formula:C12 H22 O11
SMILES:O(C1C(OC(O)C(O)C1O)CO)C2OC(C(O)C(O)C2O)CO
InChi:InChI=1S/C12H22O11/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
Synonyms:BETA-1,4-GALACTOBIOSIDE
Definition date:2003-10-23
Last modified:2020-07-17
Identifier:4-O-beta-D-galactopyranosyl-beta-D-galactopyranose
TM5
TM5
Name:THIO-MALTOPENTAOSE
Formula:C30 H52 O23 S3
SMILES:S(C2C(OC(OC1C(O)C(O)C(S)OC1CO)C(O)C2O)CO)C5OC(C(OC4OC(CO)C(SC3OC(CO)C(O)C(O)C3O)C(O)C4O)C(O)C5O)CO
InChi:InChI=1S/C30H52O23S3/c31-1-6-11(36)12(37)20(45)29(50-6)55-24-9(4-34)48-27(18(43)15(24)40)53-23-8(3-33)51-30(21(46)14(23)39)56-25-10(5-35)47-26(17(42)16(25)41)52-22-7(2-32)49-28(54)19(44)13(22)38/h6-46,54H,1-5H2/t6-,7-,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-/m1/s1
Definition date:1999-07-08
Last modified:2020-07-17
Identifier:alpha-D-glucopyranosyl-(1->4)-4-thio-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-4-thio-alpha-D-glucopyranosyl-(1->4)-1-thio-alpha-D-glucopyranose
TM6
TM6
Name:THIO-MALTOHEXAOSE
Formula:C36 H62 O28 S3
SMILES:S(C3C(OC(OC2C(O)C(O)C(SC1C(O)C(O)C(O)OC1CO)OC2CO)C(O)C3O)CO)C6OC(C(OC5OC(CO)C(SC4OC(CO)C(O)C(O)C4O)C(O)C5O)C(O)C6O)CO
InChi:InChI=1S/C36H62O28S3/c37-1-7-13(43)14(44)23(53)34(60-7)66-29-11(5-41)58-32(21(51)18(29)48)64-27-9(3-39)62-36(25(55)16(27)46)67-30-12(6-42)59-33(22(52)19(30)49)63-26-8(2-38)61-35(24(54)15(26)45)65-28-10(4-40)57-31(56)20(50)17(28)47/h7-56H,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
Definition date:1999-07-08
Last modified:2020-07-17
Identifier:alpha-D-glucopyranosyl-(1->4)-4-thio-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-4-thio-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-4-thio-alpha-D-glucopyranose
TMX
TMX
Name:2-deoxy-2-(trimethylammonio)-beta-D-glucopyranose
Formula:C9 H20 N O5
SMILES:OC1OC(C(O)C(O)C1[N+](C)(C)C)CO
InChi:InChI=1S/C9H20NO5/c1-10(2,3)6-8(13)7(12)5(4-11)15-9(6)14/h5-9,11-14H,4H2,1-3H3/q+1/t5-,6-,7-,8-,9-/m1/s1
Synonyms:2-deoxy-2-(trimethylammonio)-beta-D-glucose
Definition date:2010-09-02
Last modified:2020-07-17
Identifier:2-deoxy-2-(trimethylammonio)-beta-D-glucopyranose
B4G
B4G
Name:GALACTOTRIOSE
Formula:C18 H32 O16
SMILES:O(C1C(OC(O)C(O)C1O)CO)C3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)CO
InChi:InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7+,8+,9-,10-,11-,12-,13-,14+,15+,16-,17+,18+/m1/s1
Synonyms:BETA-1,4-GALACTOTRIOSIDE
Definition date:2003-10-23
Last modified:2020-07-17
Identifier:beta-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-beta-D-galactopyranose
TNX
TNX
Name:1,5-anhydro-2-deoxy-2-(ethanethioylamino)-D-arabino-hex-1-enitol
Formula:C8 H13 N O4 S
SMILES:C=1OC(C(C(C=1NC(=S)C)O)O)CO
InChi:InChI=1S/C8H13NO4S/c1-4(14)9-5-3-13-6(2-10)8(12)7(5)11/h3,6-8,10-12H,2H2,1H3,(H,9,14)/t6-,7-,8-/m1/s1
Synonyms:N-[(2R,3S,4R)-2-(hydroxymethyl)-3,4-bis(oxidanyl)-3,4-dihydro-2H-pyran-5-yl]ethanethioamide
Definition date:2015-12-18
Last modified:2020-07-17
Release date:2016-10-26
Identifier:1,5-anhydro-2-deoxy-2-(ethanethioylamino)-D-arabino-hex-1-enitol
B6D
B6D
Name:2,4-bisacetamido-2,4,6-trideoxy-beta-D-glucopyranose
Formula:C10 H18 N2 O5
SMILES:O=C(NC1C(OC(O)C(NC(=O)C)C1O)C)C
InChi:InChI=1S/C10H18N2O5/c1-4-7(11-5(2)13)9(15)8(10(16)17-4)12-6(3)14/h4,7-10,15-16H,1-3H3,(H,11,13)(H,12,14)/t4-,7-,8-,9+,10-/m1/s1
Synonyms:2,4-bis(acetylamino)-2,4,6-trideoxy-beta-D-glucopyranose
Definition date:2008-05-01
Last modified:2020-07-17
Identifier:2,4-bis(acetylamino)-2,4,6-trideoxy-beta-D-glucopyranose
B7G
B7G
Name:heptyl beta-D-glucopyranoside
Formula:C13 H26 O6
SMILES:O(CCCCCCC)C1OC(C(O)C(O)C1O)CO
InChi:InChI=1S/C13H26O6/c1-2-3-4-5-6-7-18-13-12(17)11(16)10(15)9(8-14)19-13/h9-17H,2-8H2,1H3/t9-,10-,11+,12-,13-/m1/s1
Synonyms:HEPTYL-BETA-D-GLUCOPYRANOSIDE
Definition date:1999-07-08
Last modified:2020-07-17
Identifier:heptyl beta-D-glucopyranoside
TQY
TQY
Name:6-O-octanoyl-alpha-D-glucopyranose
Formula:C14 H26 O7
SMILES:C(=O)(CCCCCCC)OCC1C(C(C(C(O1)O)O)O)O
InChi:InChI=1S/C14H26O7/c1-2-3-4-5-6-7-10(15)20-8-9-11(16)12(17)13(18)14(19)21-9/h9,11-14,16-19H,2-8H2,1H3/t9-,11-,12+,13-,14+/m1/s1
Definition date:2020-03-30
Last modified:2020-07-17
Release date:2020-07-29
Identifier:6-O-octanoyl-alpha-D-glucopyranose
TRE
TRE
Name:TREHALOSE
Formula:C12 H22 O11
SMILES:O2C(OC1OC(C(O)C(O)C1O)CO)C(O)C(O)C(O)C2CO
InChi:InChI=1S/C12H22O11/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
Synonyms:ALPHA-D-GLUCOPYRANOSYL-ALPHA-D-GLUCOPYRANOSIDE
Definition date:2000-04-19
Last modified:2020-07-17
Identifier:alpha-D-glucopyranosyl alpha-D-glucopyranoside
BM3
BM3
Name:2-acetamido-2-deoxy-alpha-D-mannopyranose
Formula:C8 H15 N O6
SMILES:O=C(NC1C(O)C(O)C(OC1O)CO)C
InChi:InChI=1S/C8H15NO6/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
Synonyms:N-acetyl-alpha-D-mannosamine
Definition date:2006-08-03
Last modified:2020-07-17
Identifier:2-(acetylamino)-2-deoxy-alpha-D-mannopyranose
BM7
BM7
Name:2-acetamido-2-deoxy-beta-D-mannopyranose
Formula:C8 H15 N O6
SMILES:C1(OC(C(C(C1NC(=O)C)O)O)CO)O
InChi:InChI=1S/C8H15NO6/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
Synonyms:N-acetyl-beta-D-mannosamine
Definition date:2015-05-13
Last modified:2020-07-17
Release date:2016-06-01
Identifier:2-(acetylamino)-2-deoxy-beta-D-mannopyranose
TRV
TRV
Name:6-O-octanoyl-beta-D-fructofuranose
Formula:C14 H26 O7
SMILES:OC1(CO)C(O)C(O)C(COC(=O)CCCCCCC)O1
InChi:InChI=1S/C14H26O7/c1-2-3-4-5-6-7-11(16)20-8-10-12(17)13(18)14(19,9-15)21-10/h10,12-13,15,17-19H,2-9H2,1H3/t10-,12-,13+,14-/m1/s1
Definition date:2020-03-30
Last modified:2020-07-17
Release date:2020-07-29
Identifier:6-O-octanoyl-beta-D-fructofuranose
TS8
TS8
Name:2,3,4,6-tetra-O-acetyl-1-thio-beta-D-glucopyranose
Formula:C14 H20 O9 S
SMILES:O=C(OCC1OC(S)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)C
InChi:InChI=1S/C14H20O9S/c1-6(15)19-5-10-11(20-7(2)16)12(21-8(3)17)13(14(24)23-10)22-9(4)18/h10-14,24H,5H2,1-4H3/t10-,11-,12+,13-,14+/m1/s1
Synonyms:3,4,5-TRIACETYLOXY-6-(ACETYLOXYMETHYL)OXANE-2-THIOL
Definition date:2011-02-24
Last modified:2020-07-17
Identifier:2,3,4,6-tetra-O-acetyl-1-thio-beta-D-glucopyranose
BMX
BMX
Name:2-acetamido-2-deoxy-6-O-phosphono-alpha-D-mannopyranose
Formula:C8 H16 N O9 P
SMILES:O=P(O)(O)OCC1OC(O)C(NC(=O)C)C(O)C1O
InChi:InChI=1S/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)/t4-,5+,6-,7-,8+/m1/s1
Synonyms:2-(ACETYLAMINO)-2-DEOXY-6-O-PHOSPHONO-ALPHA-D-MANNOPYRANOSE
Definition date:2011-05-10
Last modified:2020-07-17
Identifier:2-(acetylamino)-2-deoxy-6-O-phosphono-alpha-D-mannopyranose
BND
BND
Name:methyl 5-acetamido-3,5,9-trideoxy-9-[(phenylcarbonyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid
Formula:C19 H26 N2 O9
SMILES:O=C(c1ccccc1)NCC(O)C(O)C2OC(OC)(C(=O)O)CC(O)C2NC(=O)C
InChi:InChI=1S/C19H26N2O9/c1-10(22)21-14-12(23)8-19(29-2,18(27)28)30-16(14)15(25)13(24)9-20-17(26)11-6-4-3-5-7-11/h3-7,12-16,23-25H,8-9H2,1-2H3,(H,20,26)(H,21,22)(H,27,28)/t12-,13+,14+,15+,16+,19+/m0/s1
Synonyms:ME-A-N-BENZOYL-AMINO-9-DEOXY-NEU5AC
Definition date:2003-02-14
Last modified:2020-07-17
Identifier:methyl 5-(acetylamino)-3,5,9-trideoxy-9-[(phenylcarbonyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid
BNG
BNG
Name:nonyl beta-D-glucopyranoside
Formula:C15 H30 O6
SMILES:O(CCCCCCCCC)C1OC(C(O)C(O)C1O)CO
InChi:InChI=1S/C15H30O6/c1-2-3-4-5-6-7-8-9-20-15-14(19)13(18)12(17)11(10-16)21-15/h11-19H,2-10H2,1H3/t11-,12-,13+,14-,15-/m1/s1
Synonyms:Beta-NONYLGLUCOSIDE
Definition date:1999-07-08
Last modified:2020-07-17
Identifier:nonyl beta-D-glucopyranoside
BNX
BNX
Name:2-O-phosphono-beta-D-glucopyranose
Formula:C6 H13 O9 P
SMILES:O=P(OC1C(O)C(O)C(OC1O)CO)(O)O
InChi:InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(6(10)14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1
Synonyms:2-O-phosphono-beta-D-glucose
Definition date:2014-09-18
Last modified:2020-07-17
Release date:2015-08-19
Identifier:2-O-phosphono-beta-D-glucopyranose
TT7
TT7
Name:4-O-phosphono-beta-D-fructofuranose
Formula:C6 H13 O9 P
SMILES:OC1(OC(C(C1O)OP(=O)(O)O)CO)CO
InChi:InChI=1S/C6H13O9P/c7-1-3-4(15-16(11,12)13)5(9)6(10,2-8)14-3/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6-/m1/s1
Definition date:2020-03-30
Last modified:2020-07-17
Release date:2020-07-29
Identifier:4-O-phosphono-beta-D-fructofuranose
BO1
BO1
Name:N-(4-sulfamoylphenyl)-beta-D-glucopyranosylamine
Formula:C12 H18 N2 O7 S
SMILES:O=S(=O)(N)c1ccc(cc1)NC2OC(C(O)C(O)C2O)CO
InChi:InChI=1S/C12H18N2O7S/c13-22(19,20)7-3-1-6(2-4-7)14-12-11(18)10(17)9(16)8(5-15)21-12/h1-4,8-12,14-18H,5H2,(H2,13,19,20)/t8-,9-,10+,11-,12-/m1/s1
Synonyms:N-[4-(AMINOSULFONYL)PHENYL]-BETA-D-GLUCOPYRANOSYLAMINE
Definition date:2006-07-12
Last modified:2020-07-17
Identifier:N-(4-sulfamoylphenyl)-beta-D-glucopyranosylamine
BOG
BOG
Name:octyl beta-D-glucopyranoside
Formula:C14 H28 O6
SMILES:O(CCCCCCCC)C1OC(C(O)C(O)C1O)CO
InChi:InChI=1S/C14H28O6/c1-2-3-4-5-6-7-8-19-14-13(18)12(17)11(16)10(9-15)20-14/h10-18H,2-9H2,1H3/t10-,11-,12+,13-,14-/m1/s1
Synonyms:Beta-Octylglucoside
Definition date:1999-07-08
Last modified:2020-07-17
Identifier:octyl beta-D-glucopyranoside
TTZ
TTZ
Name:N-[(3aS,4R,5S,6S,6aS)-4,5,6-trihydroxy-4-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazol-2-yl]-alpha- D-glucopyranosylamine
Formula:C13 H22 N2 O9 S
SMILES:OC2C(O)C(O)(C1N=C(SC12)NC3OC(CO)C(O)C(O)C3O)CO
InChi:InChI=1S/C13H22N2O9S/c16-1-3-4(18)5(19)6(20)11(24-3)15-12-14-9-8(25-12)7(21)10(22)13(9,23)2-17/h3-11,16-23H,1-2H2,(H,14,15)/t3-,4-,5+,6-,7-,8-,9-,10+,11+,13+/m1/s1
Synonyms:N-[(3aS,4R,5S,6S,6aS)-4,5,6-trihydroxy-4-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazol-2-yl]-alpha- D-glucosylamine
Definition date:2007-02-07
Last modified:2020-07-17
Identifier:N-[(3aS,4R,5S,6S,6aS)-4,5,6-trihydroxy-4-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazol-2-yl]-alpha- D-glucopyranosylamine

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数据于2024-07-17公开中

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