 | | LOG | | Name: | N-acetylglucosaminono-1,5-lactone (Z)-oxime | | Formula: | C8 H14 N2 O6 | | SMILES: | O=C(NC1C(=NO)OC(CO)C(O)C1O)C | | InChi: | InChI=1S/C8H14N2O6/c1-3(12)9-5-7(14)6(13)4(2-11)16-8(5)10-15/h4-7,11,13-15H,2H2,1H3,(H,9,12)/b10-8-/t4-,5-,6-,7-/m1/s1 | | Synonyms: | LOGNAC | | Definition date: | 2010-07-22 | | Last modified: | 2020-07-17 | | Identifier: | N-[(2Z,3R,4R,5S,6R)-4,5-dihydroxy-2-(hydroxyimino)-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]acetamide (non-preferred
name) |
|
 | | 9SG | | Name: | (2R,3R,5R,6R)-5-acetamido-2,3-bis(fluoranyl)-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid | | Formula: | C11 H17 F2 N O7 | | SMILES: | O=C(C)NC1C(C(C(CO)O)O)OC(C(C1)F)(F)C(=O)O | | InChi: | InChI=1S/C11H17F2NO7/c1-4(16)14-5-2-7(12)11(13,10(19)20)21-9(5)8(18)6(17)3-15/h5-9,15,17-18H,2-3H2,1H3,(H,14,16)(H,19,20)/t5-,6-,7-,8-,9-,11-/m1/s1 | | Synonyms: | (2~{R},3~{R},5~{R},6~{R})-5-acetamido-2,3-bis(fluoranyl)-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic
acid | | Definition date: | 2017-06-07 | | Last modified: | 2020-07-17 | | Release date: | 2018-02-21 | | Identifier: | (2R,3R,5R,6R)-5-(acetylamino)-2,3-difluoro-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-pyran-2-carboxylic acid
(non-preferred name) |
|
 | | 9SM | | Name: | (2R,3R,4R,5R,6S)-5-acetamido-6-[(2S)-2,3-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-carboxylic acid | | Formula: | C11 H17 F2 N O7 | | SMILES: | OC(C1(OC(CC(CO)O)C(C(C1F)O)NC(=O)C)F)=O | | InChi: | InChI=1S/C11H17F2NO7/c1-4(16)14-7-6(2-5(17)3-15)21-11(13,10(19)20)9(12)8(7)18/h5-9,15,17-18H,2-3H2,1H3,(H,14,16)(H,19,20)/t5-,6-,7-,8+,9+,11+/m0/s1 | | Synonyms: | (2~{R},3~{R},4~{R},5~{R},6~{S})-5-acetamido-6-[(2~{S})-2,3-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-c
arboxylic acid | | Definition date: | 2017-06-07 | | Last modified: | 2020-07-17 | | Release date: | 2018-02-21 | | Identifier: | (2R,3R,4R,5R,6S)-5-(acetylamino)-6-[(2S)-2,3-dihydroxypropyl]-2,3-difluoro-4-hydroxytetrahydro-2H-pyran-2-carboxylic
acid (non-preferred name) |
|
 | | 9SP | | Name: | (2R,3R,4R,5R,6R)-5-acetamido-6-[(1R)-1,3-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-carboxylic acid | | Formula: | C11 H17 F2 N O7 | | SMILES: | OC(C1(OC(C(O)CCO)C(C(C1F)O)NC(=O)C)F)=O | | InChi: | InChI=1S/C11H17F2NO7/c1-4(16)14-6-7(18)9(12)11(13,10(19)20)21-8(6)5(17)2-3-15/h5-9,15,17-18H,2-3H2,1H3,(H,14,16)(H,19,20)/t5-,6-,7-,8+,9-,11-/m1/s1 | | Synonyms: | (2~{R},3~{R},4~{R},5~{R},6~{R})-5-acetamido-6-[(1~{R})-1,3-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-c
arboxylic acid | | Definition date: | 2017-06-07 | | Last modified: | 2020-07-17 | | Release date: | 2018-02-21 | | Identifier: | (2R,3R,4R,5R,6R)-5-(acetylamino)-6-[(1R)-1,3-dihydroxypropyl]-2,3-difluoro-4-hydroxytetrahydro-2H-pyran-2-carboxylic
acid (non-preferred name) |
|
 | | 9T7 | | Name: | (2R,3R,4R,5R,6R)-5-acetamido-6-[(1R,2R)-1,2-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-carboxylic acid | | Formula: | C11 H17 F2 N O7 | | SMILES: | OC(C1(OC(C(C(C)O)O)C(C(C1F)O)NC(=O)C)F)=O | | InChi: | InChI=1S/C11H17F2NO7/c1-3(15)6(17)8-5(14-4(2)16)7(18)9(12)11(13,21-8)10(19)20/h3,5-9,15,17-18H,1-2H3,(H,14,16)(H,19,20)/t3-,5-,6-,7-,8-,9-,11-/m1/s1 | | Synonyms: | (2~{R},3~{R},4~{R},5~{R},6~{R})-5-acetamido-6-[(1~{R},2~{R})-1,2-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxa
ne-2-carboxylic acid | | Definition date: | 2017-06-07 | | Last modified: | 2020-07-17 | | Release date: | 2018-02-21 | | Identifier: | (2R,3R,4R,5R,6R)-5-(acetylamino)-6-[(1R,2R)-1,2-dihydroxypropyl]-2,3-difluoro-4-hydroxytetrahydro-2H-pyran-2-carboxylic
acid (non-preferred name) |
|
 | | LXC | | Name: | beta-L-xylopyranose | | Formula: | C5 H10 O5 | | SMILES: | OC1C(O)COC(O)C1O | | InChi: | InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5-/m0/s1 | | Synonyms: | beta-L-xylose | | Definition date: | 2002-03-13 | | Last modified: | 2020-07-17 | | Identifier: | beta-L-xylopyranose |
|
 | | 2WP | | Name: | S-ribosylhomocysteine | | Formula: | C9 H17 N O6 S | | SMILES: | O=C(O)C(N)CCSCC1OC(O)C(O)C1O | | InChi: | InChI=1S/C9H17NO6S/c10-4(8(13)14)1-2-17-3-5-6(11)7(12)9(15)16-5/h4-7,9,11-12,15H,1-3,10H2,(H,13,14)/t4-,5+,6+,7+,9-/m0/s1 | | Synonyms: | (2S)-2-amino-4-({[(2S,3S,4R,5S)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid | | Definition date: | 2014-03-13 | | Last modified: | 2020-07-17 | | Release date: | 2014-03-26 | | Identifier: | (2S)-2-amino-4-({[(2S,3S,4R,5S)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid (non-preferred
name) |
|
 | | M55 | | Name: | benzyl alpha-D-glucopyranuronate | | Formula: | C13 H16 O7 | | SMILES: | O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(=O)OCc2ccccc2 | | InChi: | InChI=1S/C13H16O7/c14-8-9(15)11(20-12(17)10(8)16)13(18)19-6-7-4-2-1-3-5-7/h1-5,8-12,14-17H,6H2/t8-,9-,10+,11-,12-/m0/s1 | | Synonyms: | Benzyl D-glucuronoate | | Definition date: | 2019-10-03 | | Last modified: | 2020-07-17 | | Release date: | 2019-11-27 | | Identifier: | (phenylmethyl) (2~{S},3~{S},4~{S},5~{R},6~{S})-3,4,5,6-tetrakis(oxidanyl)oxane-2-carboxylate |
|
 | | M6D | | Name: | 6-O-phosphono-beta-D-mannopyranose | | Formula: | C6 H13 O9 P | | SMILES: | O=P(O)(O)OCC1OC(O)C(O)C(O)C1O | | 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-/m1/s1 | | Synonyms: | beta-D-mannose-6-phosphate | | Definition date: | 2007-11-21 | | Last modified: | 2020-07-17 | | Identifier: | 6-O-phosphono-beta-D-mannopyranose |
|
 | | M6P | | Name: | 6-O-phosphono-alpha-D-mannopyranose | | Formula: | C6 H13 O9 P | | SMILES: | O=P(O)(O)OCC1OC(O)C(O)C(O)C1O | | 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+/m1/s1 | | Synonyms: | ALPHA-D-MANNOSE-6-PHOSPHATE | | Definition date: | 1999-07-08 | | Last modified: | 2020-07-17 | | Identifier: | 6-O-phosphono-alpha-D-mannopyranose |
|
 | | M7B | | Name: | 7-O-phosphono-D-glycero-beta-D-manno-heptopyranose | | Formula: | C7 H15 O10 P | | SMILES: | O=P(O)(O)OCC(O)C1OC(O)C(O)C(O)C1O | | InChi: | InChI=1S/C7H15O10P/c8-2(1-16-18(13,14)15)6-4(10)3(9)5(11)7(12)17-6/h2-12H,1H2,(H2,13,14,15)/t2-,3+,4+,5+,6-,7-/m1/s1 | | Synonyms: | 7-O-phosphono-D-glycero-beta-D-manno-heptose | | Definition date: | 2012-04-04 | | Last modified: | 2020-07-17 | | Release date: | 2012-12-21 | | Identifier: | 7-O-phosphono-D-glycero-beta-D-manno-heptopyranose |
|
 | | M7P | | Name: | 7-O-phosphono-D-glycero-alpha-D-manno-heptopyranose | | Formula: | C7 H15 O10 P | | SMILES: | O=P(O)(O)OCC(O)C1OC(O)C(O)C(O)C1O | | InChi: | InChI=1S/C7H15O10P/c8-2(1-16-18(13,14)15)6-4(10)3(9)5(11)7(12)17-6/h2-12H,1H2,(H2,13,14,15)/t2-,3+,4+,5+,6-,7+/m1/s1 | | Synonyms: | D-GLYCERO-D-MANNOPYRANOSE-7-PHOSPHATE | | Definition date: | 2004-08-20 | | Last modified: | 2020-07-17 | | Identifier: | 7-O-phosphono-D-glycero-alpha-D-manno-heptopyranose |
|
 | | M8C | | Name: | methyl alpha-D-galactopyranuronate | | Formula: | C7 H12 O7 | | SMILES: | O=C(OC)C1OC(O)C(O)C(O)C1O | | InChi: | InChI=1S/C7H12O7/c1-13-7(12)5-3(9)2(8)4(10)6(11)14-5/h2-6,8-11H,1H3/t2-,3+,4+,5-,6-/m0/s1 | | Synonyms: | ALPHA-D-GALACTOPYRANURONIC METHYL ESTER | | Definition date: | 2006-11-15 | | Last modified: | 2020-07-17 | | Identifier: | methyl alpha-D-galactopyranuronate |
|
 | | MAN | | Name: | alpha-D-mannopyranose | | Formula: | C6 H12 O6 | | SMILES: | OC1C(O)C(OC(O)C1O)CO | | InChi: | InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1 | | Synonyms: | alpha-D-mannose | | Definition date: | 1999-07-08 | | Last modified: | 2020-07-17 | | Identifier: | alpha-D-mannopyranose |
|
 | | MAV | | Name: | alpha-D-mannopyranuronic acid | | Formula: | C6 H10 O7 | | SMILES: | O=C(O)C1OC(O)C(O)C(O)C1O | | InChi: | InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3-,4-,6-/m0/s1 | | Synonyms: | alpha-D-mannuronic acid | | Definition date: | 2002-12-18 | | Last modified: | 2020-07-17 | | Identifier: | alpha-D-mannopyranuronic acid |
|
 | | 1S3 | | Name: | (2R,3aR,5R,6S,7S,7aR)-5-(hydroxymethyl)tetrahydro-3aH-[1,3,2]dioxaphospholo[4,5-b]pyran-2,6,7-triol 2-oxide | | Formula: | C6 H11 O8 P | | SMILES: | O=P1(OC2C(O)C(O)C(OC2O1)CO)O | | InChi: | InChI=1S/C6H11O8P/c7-1-2-3(8)4(9)5-6(12-2)14-15(10,11)13-5/h2-9H,1H2,(H,10,11)/t2-,3-,4+,5-,6-/m1/s1 | | Synonyms: | Glucose1,2cyclic phosphate | | Definition date: | 2013-05-15 | | Last modified: | 2020-07-17 | | Release date: | 2013-12-11 | | Identifier: | (2R,3aR,5R,6S,7S,7aR)-5-(hydroxymethyl)tetrahydro-3aH-[1,3,2]dioxaphospholo[4,5-b]pyran-2,6,7-triol 2-oxide |
|
 | | MLB | | Name: | 6-O-alpha-D-galactopyranosyl-alpha-D-glucopyranose | | Formula: | C12 H22 O11 | | SMILES: | O(CC1OC(O)C(O)C(O)C1O)C2OC(C(O)C(O)C2O)CO | | InChi: | InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5+,6-,7+,8+,9-,10-,11+,12+/m1/s1 | | Synonyms: | melibiose | | Definition date: | 2010-08-26 | | Last modified: | 2020-07-17 | | Identifier: | 6-O-alpha-D-galactopyranosyl-alpha-D-glucopyranose |
|
 | | 1X4 | | Name: | 2,3-dideoxy-5-O-phosphono-alpha-D-ribofuranose | | Formula: | 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 | | Synonyms: | 2,3-dideoxyribose-5-phosphate | | Definition date: | 2013-07-22 | | Last modified: | 2020-07-17 | | Release date: | 2013-07-31 | | Identifier: | [(2S,5S)-5-hydroxytetrahydrofuran-2-yl]methyl dihydrogen phosphate |
|
 | | MTT | | Name: | MALTOTETRAOSE | | Formula: | C24 H42 O21 | | SMILES: | O(C2C(OC(OC1C(O)C(O)C(O)OC1CO)C(O)C2O)CO)C4OC(C(OC3OC(CO)C(O)C(O)C3O)C(O)C4O)CO | | InChi: | InChI=1S/C24H42O21/c25-1-5-9(29)10(30)15(35)22(40-5)44-19-7(3-27)42-24(17(37)12(19)32)45-20-8(4-28)41-23(16(36)13(20)33)43-18-6(2-26)39-21(38)14(34)11(18)31/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21+,22-,23-,24-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2020-07-17 | | Identifier: | alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranose |
|
 | | 46Z | | Name: | (2R,3R,4S,5S)-4-fluoro-3,5-dihydroxytetrahydrofuran-2-yl 2-phenylethyl hydrogen (S)-phosphate | | Formula: | C12 H16 F O7 P | | SMILES: | O=P(O)(OC1OC(O)C(F)C1O)OCCc2ccccc2 | | InChi: | InChI=1S/C12H16FO7P/c13-9-10(14)12(19-11(9)15)20-21(16,17)18-7-6-8-4-2-1-3-5-8/h1-5,9-12,14-15H,6-7H2,(H,16,17)/t9-,10-,11-,12+/m0/s1 | | Synonyms: | Inhibitor CZ-46 based on arabinosyl-2-fluoro-2-deoxynicotinamide mononucleotide, bound form | | Definition date: | 2011-05-12 | | Last modified: | 2020-07-17 | | Identifier: | (2R,3R,4S,5S)-4-fluoro-3,5-dihydroxytetrahydrofuran-2-yl 2-phenylethyl hydrogen (S)-phosphate |
|
 | | 49A | | Name: | 4,9-AMINO-2,4-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID | | Formula: | C11 H19 N3 O6 | | SMILES: | O=C(O)C=1OC(C(O)C(O)CN)C(NC(=O)C)C(C=1)N | | InChi: | InChI=1S/C11H19N3O6/c1-4(15)14-8-5(13)2-7(11(18)19)20-10(8)9(17)6(16)3-12/h2,5-6,8-10,16-17H,3,12-13H2,1H3,(H,14,15)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1 | | Definition date: | 2000-07-26 | | Last modified: | 2020-07-17 | | Identifier: | 5-(acetylamino)-4,9-diamino-2,6-anhydro-3,4,5,9-tetradeoxy-D-glycero-D-galacto-non-2-enonic acid |
|
 | | 0XY | | Name: | 5-fluoro-N-acetyl-alpha-D-glucosamine | | Formula: | C8 H14 F N O6 | | SMILES: | FC1(OC(O)C(NC(=O)C)C(O)C1O)CO | | InChi: | InChI=1S/C8H14FNO6/c1-3(12)10-4-5(13)6(14)8(9,2-11)16-7(4)15/h4-7,11,13-15H,2H2,1H3,(H,10,12)/t4-,5-,6+,7?,8-/m1/s1 | | Synonyms: | N-[(2S,3R,4R,5S,6S)-6-fluoro-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]acetamide | | Definition date: | 2012-09-05 | | Last modified: | 2020-07-17 | | Release date: | 2012-12-14 | | Identifier: | N-[(2S,3R,4R,5S,6S)-6-fluoro-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]acetamide (non-preferred name) |
|
 | | 149 | | Name: | D-galactonolactone | | Formula: | C6 H10 O6 | | SMILES: | O=C1OC(CO)C(O)C(O)C1O | | InChi: | InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2/t2-,3+,4+,5-/m1/s1 | | Synonyms: | (3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one | | Definition date: | 2001-10-02 | | Last modified: | 2020-07-17 | | Identifier: | (3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-one (non-preferred name) |
|
 | | 15L | | Name: | D-galactaro-1,5-lactone | | Formula: | C6 H8 O7 | | SMILES: | O=C(O)C1OC(=O)C(O)C(O)C1O | | InChi: | InChI=1S/C6H8O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,7-9H,(H,10,11)/t1-,2+,3+,4-/m0/s1 | | Synonyms: | galactaro-1,5-lactone | | Definition date: | 2011-04-11 | | Last modified: | 2020-07-17 | | Identifier: | (2S,3R,4S,5R)-3,4,5-trihydroxy-6-oxotetrahydro-2H-pyran-2-carboxylic acid (non-preferred name) |
|
 | | NT1 | | Name: | HEPARIN HEPTASACCHARIDE | | Formula: | C55 H98 O54 S6 | | SMILES: | O=S(=O)(OCC7OCC(OS(=O)(=O)O)C(OC)C7OC6OC(C(O)O)C(OC5OC(C(OC4OC(C(OC3OC(COS(=O)(=O)O)C(OC2OC(COC)C(OC1OC(CC(OC)C1OC)COC)C(OC)C2OC)C(OC)C3OC)C(OC)C4OC)C(O)O)C(OS(=O)(=O)O)C5OS(=O)(=O)O)COS(=O)(=O)O)C(OC)C6OC)O | | InChi: | InChI=1S/C55H98O54S6/c1-78-15-21-14-22(80-3)33(82-5)50(95-21)100-30-24(16-79-2)96-51(43(87-10)34(30)83-6)101-31-25(19-93-111(63,64)65)97-52(44(88-11)35(31)84-7)103-38-36(85-8)46(90-13)54(106-41(38)48(56)57)102-32-26(20-94-112(66,67)68)98-55(47(109-115(75,76)77)40(32)108-114(72,73)74)104-39-37(86-9)45(89-12)53(105-42(39)49(58)59)99-29-23(18-92-110(60,61)62)91-17-27(28(29)81-4)107-113(69,70)71/h21-59H,14-20H2,1-13H3,(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)/t21-,22-,23+,24+,25+,26+,27-,28+,29+,30+,31+,32+,33+,34-,35-,36-,37-,38-,39-,40-,41-,42+,43+,44+,45+,46+,47+,50?,51-,52+,53+,54+,55+/m0/s1 | | Definition date: | 2004-04-20 | | Last modified: | 2020-07-17 | | Identifier: | [(2R,3R,4S,5S)-3-{[(2R,3R,4S,5S,6R)-6-(dihydroxymethyl)-5-({(2R,3R,4S,5R,6R)-5-{[(2R,3R,4S,5S,6S)-6-(dihydroxymethyl)-5-({(2R,3R,4S,5R,6R)-5-{[(2S,3R,4S,5R,6R)-5-{[(2R,3R,4S,6S)-3,4-dimethoxy-6-(methoxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-3,4-dimethoxy-6-(methoxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-3,4-dimethoxy-6-[(sulfooxy)methyl]tetrahydro-2H-pyran-2-yl}oxy)-3,4-dimethoxytetrahydro-2H-pyran-2-yl]oxy}-3,4-bis(sulfooxy)-6-[(sulfooxy)methyl]tetrahydro-2H-pyran-2-yl}oxy)-3,4-dimethoxytetrahydro-2H-pyran-2-yl]oxy}-4-methoxy-5-(sulfooxy)tetrahydro-2H-pyran-2-yl]methyl hydrogen sulfate (non-preferred name) |
|
