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U8V
U8V
Name:6-O-butanoyl-alpha-D-glucopyranose
Formula:C10 H18 O7
SMILES:OC1C(C(O)C(O)C(COC(=O)CCC)O1)O
InChi:InChI=1S/C10H18O7/c1-2-3-6(11)16-4-5-7(12)8(13)9(14)10(15)17-5/h5,7-10,12-15H,2-4H2,1H3/t5-,7-,8+,9-,10+/m1/s1
Definition date:2020-05-04
Last modified:2020-07-17
Release date:2020-07-29
Identifier:6-O-butanoyl-alpha-D-glucopyranose
XS2
XS2
Name:METHYL4,4II,4III,4IV-TETRATHIO-BETA-D-XYLOPENTOSIDE
Formula:C26 H44 O17 S4
SMILES:S(C2COC(SC1C(O)C(O)C(OC)OC1)C(O)C2O)C5OCC(SC4OCC(SC3OCC(O)C(O)C3O)C(O)C4O)C(O)C5O
InChi:InChI=1S/C26H44O17S4/c1-38-22-17(33)13(29)8(3-39-22)44-24-19(35)15(31)10(5-41-24)46-26-21(37)16(32)11(6-43-26)47-25-20(36)14(30)9(4-42-25)45-23-18(34)12(28)7(27)2-40-23/h7-37H,2-6H2,1H3/t7?,8-,9?,10-,11-,12?,13+,14?,15+,16+,17-,18?,19-,20?,21-,22+,23?,24+,25?,26+/m1/s1
Definition date:2004-10-14
Last modified:2020-07-17
Identifier:methyl pentopyranosyl-(1->4)-4-thiopentopyranosyl-(1->4)-4-thio-beta-D-xylopyranosyl-(1->4)-4-thio-beta-D-xylopyranosyl-(1->4)-4-thio-alpha-D-xylopyranoside
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
TU4
TU4
Name:3-O-octanoyl-alpha-D-glucopyranose
Formula:C14 H26 O7
SMILES:C(CCCCCCC)(OC1C(C(O)OC(C1O)CO)O)=O
InChi:InChI=1S/C14H26O7/c1-2-3-4-5-6-7-10(16)21-13-11(17)9(8-15)20-14(19)12(13)18/h9,11-15,17-19H,2-8H2,1H3/t9-,11-,12-,13+,14+/m1/s1
Definition date:2020-03-31
Last modified:2020-07-17
Release date:2020-07-29
Identifier:3-O-octanoyl-alpha-D-glucopyranose
U97
U97
Name:2-O-sulfo-beta-L-galactopyranuronic acid
Formula:C6 H10 O10 S
SMILES:C1(C(C(=O)O)OC(O)C(C1O)OS(O)(=O)=O)O
InChi:InChI=1S/C6H10O10S/c7-1-2(8)4(16-17(12,13)14)6(11)15-3(1)5(9)10/h1-4,6-8,11H,(H,9,10)(H,12,13,14)/t1-,2+,3+,4-,6-/m0/s1
Definition date:2020-05-04
Last modified:2020-07-17
Release date:2020-07-29
Identifier:2-O-sulfo-beta-L-galactopyranuronic acid
U9A
U9A
Name:[(2R,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(sulfooxy)tetrahydro-2H-pyran-3-yl]sulfamic acid
Formula:C5 H11 N O11 S2
SMILES:C1(C(C(NS(O)(=O)=O)C(OC1OS(O)(=O)=O)O)O)O
InChi:InChI=1S/C5H11NO11S2/c7-2-1(6-18(10,11)12)4(9)16-5(3(2)8)17-19(13,14)15/h1-9H,(H,10,11,12)(H,13,14,15)/t1-,2-,3-,4-,5-/m1/s1
Definition date:2020-05-04
Last modified:2020-07-17
Release date:2020-07-29
Identifier:[(2R,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(sulfooxy)tetrahydro-2H-pyran-3-yl]sulfamic acid (non-preferred name)
U9D
U9D
Name:4-deoxy-2,3,6-tri-O-methyl-alpha-D-xylo-hexopyranose
Formula:C9 H18 O5
SMILES:C1C(OC(C(C1OC)OC)O)COC
InChi:InChI=1S/C9H18O5/c1-11-5-6-4-7(12-2)8(13-3)9(10)14-6/h6-10H,4-5H2,1-3H3/t6-,7-,8+,9?/m0/s1
Definition date:2020-05-05
Last modified:2020-07-17
Release date:2020-07-29
Identifier:4-deoxy-2,3,6-tri-O-methyl-alpha-D-xylo-hexopyranose
SMD
SMD
Name:METHYL-2-S-(ALPHA-D-MANNOPYRANOSYL)-2-THIO-ALPHA-D-MANNOPYRANOSIDE
Formula:C13 H24 O10 S
SMILES:S(C1C(OC)OC(CO)C(O)C1O)C2OC(C(O)C(O)C2O)CO
InChi:InChI=1S/C13H24O10S/c1-21-12-11(9(19)7(17)4(2-14)22-12)24-13-10(20)8(18)6(16)5(3-15)23-13/h4-20H,2-3H2,1H3/t4-,5-,6-,7-,8+,9+,10+,11+,12+,13-/m1/s1
Definition date:2004-09-03
Last modified:2020-07-17
Identifier:methyl 2-S-alpha-D-mannopyranosyl-2-thio-alpha-D-mannopyranoside
TUG
TUG
Name:3,4-di-O-sulfo-alpha-D-altropyranose
Formula:C6 H12 O12 S2
SMILES:OCC1OC(C(C(C1OS(=O)(O)=O)OS(=O)(O)=O)O)O
InChi:InChI=1S/C6H12O12S2/c7-1-2-4(17-19(10,11)12)5(18-20(13,14)15)3(8)6(9)16-2/h2-9H,1H2,(H,10,11,12)(H,13,14,15)/t2-,3+,4-,5+,6+/m1/s1
Definition date:2020-03-31
Last modified:2020-07-17
Release date:2020-07-29
Identifier:3,4-di-O-sulfo-alpha-D-altropyranose
TUJ
TUJ
Name:1,2,3,4-tetra-O-sulfo-alpha-D-allopyranose
Formula:C6 H12 O18 S4
SMILES:OCC1OC(C(C(C1OS(O)(=O)=O)OS(=O)(=O)O)OS(O)(=O)=O)OS(O)(=O)=O
InChi:InChI=1S/C6H12O18S4/c7-1-2-3(21-25(8,9)10)4(22-26(11,12)13)5(23-27(14,15)16)6(20-2)24-28(17,18)19/h2-7H,1H2,(H,8,9,10)(H,11,12,13)(H,14,15,16)(H,17,18,19)/t2-,3-,4-,5-,6-/m1/s1
Definition date:2020-03-31
Last modified:2020-07-17
Release date:2020-07-29
Identifier:1,2,3,4-tetra-O-sulfo-alpha-D-allopyranose
U9G
U9G
Name:2,3-di-O-methyl-6-O-sulfo-alpha-D-glucopyranose
Formula:C8 H16 O9 S
SMILES:OC1C(OC(C(C1OC)OC)O)COS(O)(=O)=O
InChi:InChI=1S/C8H16O9S/c1-14-6-5(9)4(3-16-18(11,12)13)17-8(10)7(6)15-2/h4-10H,3H2,1-2H3,(H,11,12,13)/t4-,5-,6+,7-,8+/m1/s1
Definition date:2020-05-05
Last modified:2020-07-17
Release date:2020-07-29
Identifier:2,3-di-O-methyl-6-O-sulfo-alpha-D-glucopyranose
U9J
U9J
Name:(2R,3R,4S,5S,6R)-6-(dihydroxymethyl)-3,4-dimethoxytetrahydro-2H-pyran-2,5-diol
Formula:C8 H16 O7
SMILES:OC1C(OC(C(C1OC)OC)O)C(O)O
InChi:InChI=1S/C8H16O7/c1-13-4-3(9)5(7(10)11)15-8(12)6(4)14-2/h3-12H,1-2H3/t3-,4-,5+,6+,8+/m0/s1
Definition date:2020-05-05
Last modified:2020-07-17
Release date:2020-07-29
Identifier:(2R,3R,4S,5S,6R)-6-(dihydroxymethyl)-3,4-dimethoxytetrahydro-2H-pyran-2,5-diol (non-preferred name)
S7P
S7P
Name:1-C-(hydroxymethyl)-6-O-phosphono-beta-D-altrofuranose
Formula:C7 H15 O10 P
SMILES:O=P(O)(O)OCC(O)C1OC(O)(CO)C(O)C1O
InChi:InChI=1S/C7H15O10P/c8-2-7(12)6(11)4(10)5(17-7)3(9)1-16-18(13,14)15/h3-6,8-12H,1-2H2,(H2,13,14,15)/t3-,4-,5-,6+,7-/m1/s1
Synonyms:1-C-(hydroxymethyl)-6-O-phosphono-beta-D-altrose
Definition date:2014-08-28
Last modified:2020-07-17
Release date:2015-08-12
Identifier:1-C-(hydroxymethyl)-6-O-phosphono-beta-D-altrofuranose
TGA
TGA
Name:2-sulfanylethyl beta-D-galactopyranoside
Formula: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
Synonyms:METHANETHIOSULFONYL-GALACTOSIDE
Definition date:2011-01-19
Last modified:2020-07-17
Identifier:(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(2-sulfanylethoxy)oxane-3,4,5-triol
ASG
ASG
Name:2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose
Formula:C8 H15 N O9 S
SMILES:O=S(=O)(O)OC1C(OC(O)C(NC(=O)C)C1O)CO
InChi:InChI=1S/C8H15NO9S/c1-3(11)9-5-6(12)7(18-19(14,15)16)4(2-10)17-8(5)13/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H,14,15,16)/t4-,5-,6-,7+,8-/m1/s1
Synonyms:2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-4-SULFATE
Definition date:1999-07-08
Last modified:2020-07-17
Identifier:2-(acetylamino)-2-deoxy-4-O-sulfo-beta-D-galactopyranose
OAK
OAK
Name:N-(phenylcarbonyl)-beta-D-glucopyranosylamine
Formula:C13 H17 N O6
SMILES:O=C(NC1OC(C(O)C(O)C1O)CO)c2ccccc2
InChi:InChI=1S/C13H17NO6/c15-6-8-9(16)10(17)11(18)13(20-8)14-12(19)7-4-2-1-3-5-7/h1-5,8-11,13,15-18H,6H2,(H,14,19)/t8-,9-,10+,11-,13-/m1/s1
Synonyms:N-(phenylcarbonyl)-beta-D-glucosylamine
Definition date:2009-02-05
Last modified:2020-07-17
Identifier:N-(phenylcarbonyl)-beta-D-glucopyranosylamine
OBQ
OBQ
Name:(3~{S})-7-azanyl-6-methoxy-3-[(5~{R})-4-methoxy-6-methyl-7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3~{H}-2-benzofuran-1-one
Formula:C21 H22 N2 O6
SMILES:COc1ccc2[CH](OC(=O)c2c1N)[CH]3N(C)CCc4cc5OCOc5c(OC)c34
InChi:InChI=1S/C21H22N2O6/c1-23-7-6-10-8-13-19(28-9-27-13)20(26-3)14(10)17(23)18-11-4-5-12(25-2)16(22)15(11)21(24)29-18/h4-5,8,17-18H,6-7,9,22H2,1-3H3/t17-,18+/m1/s1
Definition date:2020-02-26
Last modified:2020-07-17
Release date:2020-07-22
Identifier:(3~{S})-7-azanyl-6-methoxy-3-[(5~{R})-4-methoxy-6-methyl-7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3~{H}-2-benzofuran-1-one
AXP
AXP
Name:(1S)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol
Formula:C10 H20 N O9 P
SMILES:O=P(O)(O)C1OC(C(NC(=O)C)C(O)C1)C(O)C(O)CO
InChi:InChI=1S/C10H20NO9P/c1-4(13)11-8-5(14)2-7(21(17,18)19)20-10(8)9(16)6(15)3-12/h5-10,12,14-16H,2-3H2,1H3,(H,11,13)(H2,17,18,19)/t5-,6+,7-,8+,9+,10+/m0/s1
Synonyms:4-ACETAMIDO-2,4-DIDEXOY-D-GLYCERO-BETA-D-GALACTO-OCTOPYRANOSYLPHOSPHONIC ACID (AN AXIAL PHOSPHONATE)
Definition date:1999-07-08
Last modified:2020-07-17
Identifier:(1S)-4-(acetylamino)-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol
AZC
AZC
Name:N-(acetylcarbamoyl)-beta-D-glucopyranosylamine
Formula:C9 H16 N2 O7
SMILES:O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)C
InChi:InChI=1S/C9H16N2O7/c1-3(13)10-9(17)11-8-7(16)6(15)5(14)4(2-12)18-8/h4-8,12,14-16H,2H2,1H3,(H2,10,11,13,17)/t4-,5-,6+,7-,8-/m1/s1
Synonyms:N-ACETYL-N'-BETA-D-GLUCOPYRANOSYL UREA
Definition date:2001-09-21
Last modified:2020-07-17
Identifier:N-(acetylcarbamoyl)-beta-D-glucopyranosylamine
OEL
OEL
Name:(6R)-2,6-anhydro-3,4,5-trideoxy-6-[(2S)-2,3-dihydroxypropanoyl]-3-fluoro-5-[(2-methylpropanoyl)amino]-4-triaza-1,2-dien -2-ium-1-yl-L-gulonic acid
Formula:C13 H20 F N4 O7
SMILES:FC1C(N=[N+]=[N@H])C(NC(=O)C(C)C)C(OC1C(=O)O)C(=O)C(O)CO
InChi:InChI=1S/C13H19FN4O7/c1-4(2)12(22)16-8-7(17-18-15)6(14)10(13(23)24)25-11(8)9(21)5(20)3-19/h4-8,10-11,15,19-20H,3H2,1-2H3,(H-,16,22,23,24)/p+1/t5-,6-,7-,8+,10-,11+/m0/s1
Definition date:2015-01-12
Last modified:2020-07-17
Release date:2015-02-11
Identifier:(6R)-2,6-anhydro-3,4,5-trideoxy-6-[(2S)-2,3-dihydroxypropanoyl]-3-fluoro-5-[(2-methylpropanoyl)amino]-4-triaza-1,2-dien -2-ium-1-yl-L-gulonic acid
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
OI7
OI7
Name:1,7-di-O-phosphono-beta-D-altro-hept-2-ulofuranose
Formula:C7 H16 O13 P2
SMILES:O=P(O)(O)OCC(O)C1OC(O)(COP(=O)(O)O)C(O)C1O
InChi:InChI=1S/C7H16O13P2/c8-3(1-18-21(12,13)14)5-4(9)6(10)7(11,20-5)2-19-22(15,16)17/h3-6,8-11H,1-2H2,(H2,12,13,14)(H2,15,16,17)/t3-,4-,5-,6+,7-/m1/s1
Synonyms:1,7-di-O-phosphono-beta-D-altro-hept-2-ulose
Definition date:2010-10-21
Last modified:2020-07-17
Identifier:1,7-di-O-phosphono-beta-D-altro-hept-2-ulofuranose

223790

數據於2024-08-14公開中

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