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H3S
H3S
Name:HEPARIN DISACCHARIDE III-S
Formula:C12 H16 N O16 S2
SMILES:[O-]S(=O)(=O)OC2C(O)C=C(OC2OC1C(OC(O)C(NS([O-])(=O)=O)C1O)CO)C([O-])=O
InChi:InChI=1S/C12H19NO16S2/c14-2-5-9(7(16)6(11(19)26-5)13-30(20,21)22)28-12-8(29-31(23,24)25)3(15)1-4(27-12)10(17)18/h1,3,5-9,11-16,19H,2H2,(H,17,18)(H,20,21,22)(H,23,24,25)/p-3/t3-,5+,6+,7+,8+,9+,11-,12-/m0/s1
Definition date:2004-08-03
Last modified:2020-07-17
Identifier:(2R,3R,4S)-2-{[(2R,3S,4R,5R,6S)-4,6-dihydroxy-2-(hydroxymethyl)-5-(sulfonatoamino)tetrahydro-2H-pyran-3-yl]oxy}-4-hydroxy-3-(sulfonatooxy)-3,4-dihydro-2H-pyran-6-carboxylate (non-preferred name)
H53
H53
Name:(1S)-1,5-anhydro-1-(2,5-dihydroxyphenyl)-D-glucitol
Formula:C12 H16 O7
SMILES:OC1C(O)C(O)C(OC1CO)c2cc(O)ccc2O
InChi:InChI=1S/C12H16O7/c13-4-8-9(16)10(17)11(18)12(19-8)6-3-5(14)1-2-7(6)15/h1-3,8-18H,4H2/t8-,9-,10+,11-,12+/m1/s1
Synonyms:2-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-3,4,5-TRIOL
Definition date:2006-01-23
Last modified:2020-07-17
Identifier:(1S)-1,5-anhydro-1-(2,5-dihydroxyphenyl)-D-glucitol
H6Q
H6Q
Name:2-O-[(R)-{[(2S)-1,1-dihydroxypropan-2-yl]oxy}(hydroxy)phosphoryl]-beta-D-glucopyranose
Formula:C9 H19 O11 P
SMILES:C[CH](O[P](O)(=O)O[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O)C(O)O
InChi:InChI=1S/C9H19O11P/c1-3(8(13)14)19-21(16,17)20-7-6(12)5(11)4(2-10)18-9(7)15/h3-15H,2H2,1H3,(H,16,17)/t3-,4+,5+,6-,7+,9+/m0/s1
Synonyms:[(2~{S})-1,1-bis(oxidanyl)propan-2-yl] [(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl] hydrogen phosphate
Definition date:2018-11-19
Last modified:2020-07-17
Release date:2019-01-23
Identifier:[(2~{S})-1,1-bis(oxidanyl)propan-2-yl] [(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl] hydrogen phosphate
H6Z
H6Z
Name:2-O-[(R)-{[(2S)-1,1-dihydroxypropan-2-yl]oxy}(hydroxy)phosphoryl]-alpha-D-glucopyranose
Formula:C9 H19 O11 P
SMILES:C[CH](O[P](O)(=O)O[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O)C(O)O
InChi:InChI=1S/C9H19O11P/c1-3(8(13)14)19-21(16,17)20-7-6(12)5(11)4(2-10)18-9(7)15/h3-15H,2H2,1H3,(H,16,17)/t3-,4+,5+,6-,7+,9-/m0/s1
Synonyms:[(2~{S})-1,1-bis(oxidanyl)propan-2-yl] [(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl] hydrogen phosphate
Definition date:2018-11-19
Last modified:2020-07-17
Release date:2019-01-23
Identifier:[(2~{S})-1,1-bis(oxidanyl)propan-2-yl] [(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl] hydrogen phosphate
HBZ
HBZ
Name:N-{[(4-hydroxyphenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine
Formula:C14 H18 N2 O8
SMILES:O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)c2ccc(O)cc2
InChi:InChI=1S/C14H18N2O8/c17-5-8-9(19)10(20)11(21)13(24-8)16-14(23)15-12(22)6-1-3-7(18)4-2-6/h1-4,8-11,13,17-21H,5H2,(H2,15,16,22,23)/t8-,9-,10+,11-,13-/m1/s1
Synonyms:N-{[(4-hydroxyphenyl)carbonyl]carbamoyl}-beta-D-glucosylamine
Definition date:2008-02-12
Last modified:2020-07-17
Identifier:N-{[(4-hydroxyphenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine
HD4
HD4
Name:4-O-[2-acetamido-2-deoxy-beta-D-glucopyranosyl]-1-O-phosphono-D-ribitol
Formula:C13 H26 N O13 P
SMILES:C1(OC(CO)C(O)C(COP(O)(O)=O)O)C(NC(C)=O)C(C(C(O1)CO)O)O
InChi:InChI=1S/C13H26NO13P/c1-5(17)14-9-12(21)11(20)8(3-16)27-13(9)26-7(2-15)10(19)6(18)4-25-28(22,23)24/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
Synonyms:4-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-1-O-phosphono-D-ribitol
Definition date:2018-06-26
Last modified:2020-07-17
Release date:2018-08-29
Identifier:4-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-1-O-phosphono-D-ribitol
N9S
N9S
Name:4-O-alpha-D-Glucopyranosyl-beta-D-glucopyranose
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-Maltose
Definition date:2014-01-21
Last modified:2020-07-17
Release date:2014-05-21
Identifier:4-O-alpha-D-glucopyranosyl-beta-D-glucopyranose
NA1
NA1
Name:2-acetamido-2-deoxy-6-O-methyl-alpha-D-allopyranose
Formula:C9 H17 N O6
SMILES:O=C(NC1C(O)C(O)C(OC1O)COC)C
InChi:InChI=1S/C9H17NO6/c1-4(11)10-6-8(13)7(12)5(3-15-2)16-9(6)14/h5-9,12-14H,3H2,1-2H3,(H,10,11)/t5-,6-,7-,8+,9?/m1/s1
Synonyms:METHYL N-ACETYL ALLOSAMINE
Definition date:2003-03-10
Last modified:2020-07-17
Identifier:2-(acetylamino)-2-deoxy-6-O-methyl-alpha-D-allopyranose
NAA
NAA
Name:2-acetamido-2-deoxy-beta-D-allopyranose
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-beta-D-allosamine
Definition date:1999-07-08
Last modified:2020-07-17
Identifier:2-(acetylamino)-2-deoxy-beta-D-allopyranose
NBX
NBX
Name:N-{[(4-aminophenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine
Formula:C14 H19 N3 O7
SMILES:O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)c2ccc(N)cc2
InChi:InChI=1S/C14H19N3O7/c15-7-3-1-6(2-4-7)12(22)16-14(23)17-13-11(21)10(20)9(19)8(5-18)24-13/h1-4,8-11,13,18-21H,5,15H2,(H2,16,17,22,23)/t8-,9-,10+,11-,13-/m1/s1
Synonyms:N-{[(4-aminophenyl)carbonyl]carbamoyl}-beta-D-glucosylamine
Definition date:2008-02-13
Last modified:2020-07-17
Identifier:N-{[(4-aminophenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine
NBY
NBY
Name:N-{[(4-nitrophenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine
Formula:C14 H17 N3 O9
SMILES:O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)c2ccc([N+]([O-])=O)cc2
InChi:InChI=1S/C14H17N3O9/c18-5-8-9(19)10(20)11(21)13(26-8)16-14(23)15-12(22)6-1-3-7(4-2-6)17(24)25/h1-4,8-11,13,18-21H,5H2,(H2,15,16,22,23)/t8-,9-,10+,11-,13-/m1/s1
Synonyms:N-{[(4-nitrophenyl)carbonyl]carbamoyl}-beta-D-glucosylamine
Definition date:2008-02-13
Last modified:2020-07-17
Identifier:N-{[(4-nitrophenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine
NFG
NFG
Name:2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-D-glucopyranoside
Formula:C12 H13 F N2 O9
SMILES:[O-][N+](=O)c2ccc(OC1OC(C(O)C(O)C1F)CO)c([N+]([O-])=O)c2
InChi:InChI=1S/C12H13FN2O9/c13-9-11(18)10(17)8(4-16)24-12(9)23-7-2-1-5(14(19)20)3-6(7)15(21)22/h1-3,8-12,16-18H,4H2/t8-,9-,10-,11-,12-/m1/s1
Synonyms:2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-D-glucoside
Definition date:2000-07-07
Last modified:2020-07-17
Identifier:2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-D-glucopyranoside
NG1
NG1
Name:2-acetamido-2-deoxy-1-O-phosphono-alpha-D-galactopyranose
Formula:C8 H16 N O9 P
SMILES:O=P(OC1OC(C(O)C(O)C1NC(=O)C)CO)(O)O
InChi:InChI=1S/C8H16NO9P/c1-3(11)9-5-7(13)6(12)4(2-10)17-8(5)18-19(14,15)16/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H2,14,15,16)/t4-,5-,6+,7-,8-/m1/s1
Synonyms:N-ACETYL-ALPHA-D-GALACTOSAMINE 1-PHOSPHATE
Definition date:2005-06-27
Last modified:2020-07-17
Identifier:2-(acetylamino)-2-deoxy-1-O-phosphono-alpha-D-galactopyranose
NG6
NG6
Name:2-acetamido-2-deoxy-6-O-sulfo-beta-D-galactopyranose
Formula:C8 H15 N O9 S
SMILES:O=S(=O)(O)OCC1OC(O)C(NC(=O)C)C(O)C1O
InChi:InChI=1S/C8H15NO9S/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)(H,14,15,16)/t4-,5-,6+,7-,8-/m1/s1
Synonyms:N-ACETYL-D-GALACTOSAMINE 6-SULFATE
Definition date:2000-12-12
Last modified:2020-07-17
Identifier:2-(acetylamino)-2-deoxy-6-O-sulfo-beta-D-galactopyranose
NGC
NGC
Name:N-glycolyl-alpha-neuraminic acid
Formula:C11 H19 N O10
SMILES:O=C(O)C1(O)OC(C(NC(=O)CO)C(O)C1)C(O)C(O)CO
InChi:InChI=1S/C11H19NO10/c13-2-5(16)8(18)9-7(12-6(17)3-14)4(15)1-11(21,22-9)10(19)20/h4-5,7-9,13-16,18,21H,1-3H2,(H,12,17)(H,19,20)/t4-,5+,7+,8+,9+,11+/m0/s1
Synonyms:N-glycolylneuraminic acid
Definition date:2008-07-25
Last modified:2020-07-17
Identifier:3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid
NGE
NGE
Name:N-glycolyl-beta-neuraminic acid
Formula:C11 H19 N O10
SMILES:O=C(O)C1(O)OC(C(O)C(O)CO)C(NC(=O)CO)C(O)C1
InChi:InChI=1S/C11H19NO10/c13-2-5(16)8(18)9-7(12-6(17)3-14)4(15)1-11(21,22-9)10(19)20/h4-5,7-9,13-16,18,21H,1-3H2,(H,12,17)(H,19,20)/t4-,5+,7+,8+,9+,11-/m0/s1
Synonyms:N-glycolylneuraminic acid
Definition date:2009-11-05
Last modified:2020-07-17
Identifier:3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-beta-D-galacto-non-2-ulopyranosonic acid
NGK
NGK
Name:2-acetamido-2-deoxy-4-O-sulfo-alpha-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-(ACETYLAMINO)-2-DEOXY-4-O-SULFO-ALPHA-D-GALACTOPYRANOSE
Definition date:2003-04-15
Last modified:2020-07-17
Identifier:2-(acetylamino)-2-deoxy-4-O-sulfo-alpha-D-galactopyranose
NGR
NGR
Name:3-O-alpha-D-glucopyranosyl-alpha-D-glucopyranose
Formula:C12 H22 O11
SMILES:O(C1C(O)C(O)OC(CO)C1O)C2OC(C(O)C(O)C2O)CO
InChi:InChI=1S/C12H22O11/c13-1-3-5(15)7(17)8(18)12(22-3)23-10-6(16)4(2-14)21-11(20)9(10)19/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8-,9-,10+,11+,12-/m1/s1
Definition date:2008-05-29
Last modified:2020-07-17
Identifier:3-O-alpha-D-glucopyranosyl-alpha-D-glucopyranose
NGS
NGS
Name:2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranose
Formula:C8 H15 N O9 S
SMILES:O=S(=O)(O)OCC1OC(O)C(NC(=O)C)C(O)C1O
InChi:InChI=1S/C8H15NO9S/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)(H,14,15,16)/t4-,5-,6-,7-,8-/m1/s1
Synonyms:2-(acetylamino)-2-deoxy-6-O-sulfo-beta-D-glucopyranose
Definition date:1999-07-08
Last modified:2020-07-17
Identifier:2-(acetylamino)-2-deoxy-6-O-sulfo-beta-D-glucopyranose
NGY
NGY
Name:2-acetamido-2-deoxy-6-O-sulfo-alpha-D-glucopyranose
Formula:C8 H15 N O9 S
SMILES:O=S(=O)(O)OCC1OC(O)C(NC(=O)C)C(O)C1O
InChi:InChI=1S/C8H15NO9S/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)(H,14,15,16)/t4-,5-,6-,7-,8+/m1/s1
Synonyms:2-(acetylamino)-2-deoxy-6-O-sulfo-alpha-D-glucopyranose
Definition date:2008-06-13
Last modified:2020-07-17
Identifier:2-(acetylamino)-2-deoxy-6-O-sulfo-alpha-D-glucopyranose
NGZ
NGZ
Name:2-acetamido-2-deoxy-alpha-L-glucopyranose
Formula:C8 H15 N O6
SMILES:C1(C(C(C(C(CO)O1)O)O)NC(C)=O)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+/m0/s1
Synonyms:N-acetyl-alpha-L-glucosamine
Definition date:2004-06-10
Last modified:2020-07-17
Identifier:2-(acetylamino)-2-deoxy-alpha-L-glucopyranose
NHF
NHF
Name:1,5-anhydro-D-fructose
Formula:C6 H10 O5
SMILES:O=C1COC(CO)C(O)C1O
InChi:InChI=1S/C6H10O5/c7-1-4-6(10)5(9)3(8)2-11-4/h4-7,9-10H,1-2H2/t4-,5-,6-/m1/s1
Definition date:2009-01-20
Last modified:2020-07-17
Identifier:1,5-anhydro-D-fructose
NJT
NJT
Name:9-chloranyl-5-propyl-11~{H}-pyrido[2,3-b][1,4]benzodiazepin-6-one
Formula:C15 H14 Cl N3 O
SMILES:CCCN1C(=O)c2ccc(Cl)cc2Nc3ncccc13
InChi:InChI=1S/C15H14ClN3O/c1-2-8-19-13-4-3-7-17-14(13)18-12-9-10(16)5-6-11(12)15(19)20/h3-7,9H,2,8H2,1H3,(H,17,18)
Definition date:2019-12-02
Last modified:2020-07-17
Release date:2020-07-22
Identifier:9-chloranyl-5-propyl-11~{H}-pyrido[2,3-b][1,4]benzodiazepin-6-one
NL5
NL5
Name:4-[2-(phenylsulfonyl)ethyl]-5-(propan-2-yloxymethyl)-1~{H}-1,2,3-triazole
Formula:C14 H19 N3 O3 S
SMILES:CC(C)OCc1[nH]nnc1CC[S](=O)(=O)c2ccccc2
InChi:InChI=1S/C14H19N3O3S/c1-11(2)20-10-14-13(15-17-16-14)8-9-21(18,19)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,15,16,17)
Definition date:2019-12-04
Last modified:2020-07-17
Release date:2020-07-22
Identifier:4-[2-(phenylsulfonyl)ethyl]-5-(propan-2-yloxymethyl)-1~{H}-1,2,3-triazole
NLC
NLC
Name:2-(ACETYLAMINO)-2-DEOXY-4-O-BETA-D-GALACTOPYRANOSYL-ALPHA-D-GLUCOPYRANOSE
Formula:C14 H25 N O11
SMILES:O=C(NC2C(O)C(OC1OC(C(O)C(O)C1O)CO)C(OC2O)CO)C
InChi:InChI=1S/C14H25NO11/c1-4(18)15-7-9(20)12(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
Definition date:2004-07-15
Last modified:2020-07-17
Identifier:2-(acetylamino)-2-deoxy-4-O-beta-D-galactopyranosyl-alpha-D-glucopyranose

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數據於2025-12-03公開中

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