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MG5

MG5
Name:	2,3,4-tri-O-propanoyl-6-O-sulfamoyl-beta-D-glucopyranose
Formula:	C15 H25 N O11 S
SMILES:	O=S(=O)(OCC1OC(O)C(OC(=O)CC)C(OC(=O)CC)C1OC(=O)CC)N
InChi:	InChI=1S/C15H25NO11S/c1-4-9(17)25-12-8(7-23-28(16,21)22)24-15(20)14(27-11(19)6-3)13(12)26-10(18)5-2/h8,12-15,20H,4-7H2,1-3H3,(H2,16,21,22)/t8-,12-,13+,14-,15-/m1/s1
Synonyms:	2,3,4-tri-O-propanoyl-6-O-sulfamoyl-beta-D-glucose
Definition date:	2011-08-30
Last modified:	2020-07-17
Identifier:	2,3,4-tri-O-propanoyl-6-O-sulfamoyl-beta-D-glucopyranose

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

N1L

N1L
Name:	2-amino-2-deoxy-beta-D-glucopyranuronic acid
Formula:	C6 H11 N O6
SMILES:	O=C(O)C1OC(O)C(N)C(O)C1O
InChi:	InChI=1S/C6H11NO6/c7-1-2(8)3(9)4(5(10)11)13-6(1)12/h1-4,6,8-9,12H,7H2,(H,10,11)/t1-,2-,3+,4+,6-/m1/s1
Synonyms:	2-amino-2-deoxy-beta-D-glucuronic acid
Definition date:	2008-03-11
Last modified:	2020-07-17
Identifier:	2-amino-2-deoxy-beta-D-glucopyranuronic acid

4V5

4V5
Name:	2-deoxy-2-{[3-(4-hydroxyphenyl)propanoyl]amino}-alpha-D-glucopyranose
Formula:	C15 H21 N O7
SMILES:	c2cc(CCC(NC1C(C(C(OC1O)CO)O)O)=O)ccc2O
InChi:	InChI=1S/C15H21NO7/c17-7-10-13(20)14(21)12(15(22)23-10)16-11(19)6-3-8-1-4-9(18)5-2-8/h1-2,4-5,10,12-15,17-18,20-22H,3,6-7H2,(H,16,19)/t10-,12-,13-,14-,15+/m1/s1
Synonyms:	N-[3-(4-hydroxyphenyl)propanoyl]-alpha-D-glucosamine
Definition date:	2015-06-04
Last modified:	2020-07-17
Release date:	2015-06-17
Identifier:	2-deoxy-2-{[3-(4-hydroxyphenyl)propanoyl]amino}-alpha-D-glucopyranose

LVZ

LVZ
Name:	propan-2-yl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside
Formula:	C9 H19 N O11 S2
SMILES:	O=S(=O)(O)OCC1OC(OC(C)C)C(NS(=O)(=O)O)C(O)C1O
InChi:	InChI=1S/C9H19NO11S2/c1-4(2)20-9-6(10-22(13,14)15)8(12)7(11)5(21-9)3-19-23(16,17)18/h4-12H,3H2,1-2H3,(H,13,14,15)(H,16,17,18)/t5-,6-,7-,8-,9+/m1/s1
Synonyms:	propan-2-yl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucoside
Definition date:	2012-07-18
Last modified:	2020-07-17
Release date:	2013-07-31
Identifier:	propan-2-yl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside

MUB

MUB
Name:	N-acetyl-alpha-muramic acid
Formula:	C11 H19 N O8
SMILES:	O=C(O)C(OC1C(O)C(OC(O)C1NC(=O)C)CO)C
InChi:	InChI=1S/C11H19NO8/c1-4(10(16)17)19-9-7(12-5(2)14)11(18)20-6(3-13)8(9)15/h4,6-9,11,13,15,18H,3H2,1-2H3,(H,12,14)(H,16,17)/t4-,6-,7-,8-,9-,11+/m1/s1
Synonyms:	N-acetyl-muramic acid
Definition date:	2004-03-16
Last modified:	2020-07-17
Identifier:	2-(acetylamino)-3-O-[(1R)-1-carboxyethyl]-2-deoxy-alpha-D-glucopyranose

MUR

MUR
Name:	beta-muramic acid
Formula:	C9 H17 N O7
SMILES:	O=C(O)C(OC1C(O)C(OC(O)C1N)CO)C
InChi:	InChI=1S/C9H17NO7/c1-3(8(13)14)16-7-5(10)9(15)17-4(2-11)6(7)12/h3-7,9,11-12,15H,2,10H2,1H3,(H,13,14)/t3-,4-,5-,6-,7-,9-/m1/s1
Synonyms:	muramic acid
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	2-amino-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranose

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

NM6

NM6
Name:	2-acetamido-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-beta-D-glucopyranose
Formula:	C11 H20 N2 O7
SMILES:	O=C(N)C(OC1C(O)C(OC(O)C1NC(=O)C)CO)C
InChi:	InChI=1S/C11H20N2O7/c1-4(10(12)17)19-9-7(13-5(2)15)11(18)20-6(3-14)8(9)16/h4,6-9,11,14,16,18H,3H2,1-2H3,(H2,12,17)(H,13,15)/t4-,6-,7-,8-,9-,11-/m1/s1
Synonyms:	(2R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]oxypropanamide
Definition date:	2013-11-19
Last modified:	2020-07-17
Release date:	2014-07-23
Identifier:	2-(acetylamino)-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-beta-D-glucopyranose

NM9

NM9
Name:	methyl 2-acetamido-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-beta-D-glucopyranoside
Formula:	C12 H22 N2 O7
SMILES:	O=C(N)C(OC1C(O)C(OC(OC)C1NC(=O)C)CO)C
InChi:	InChI=1S/C12H22N2O7/c1-5(11(13)18)20-10-8(14-6(2)16)12(19-3)21-7(4-15)9(10)17/h5,7-10,12,15,17H,4H2,1-3H3,(H2,13,18)(H,14,16)/t5-,7-,8-,9-,10-,12-/m1/s1
Synonyms:	(2R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-2-(hydroxymethyl)-6-methoxy-3-oxidanyl-oxan-4-yl]oxypropanamide
Definition date:	2013-11-19
Last modified:	2020-07-17
Release date:	2014-07-23
Identifier:	methyl 2-(acetylamino)-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-beta-D-glucopyranoside

6Y6

6Y6
Name:	2,6-anhydro-3,4,5-trideoxy-4-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]-5-[(2-methylpropanoyl)amino]-D-glycero-D-galacto -non-2-enonic acid
Formula:	C17 H26 N4 O8
SMILES:	OC(=O)C2=CC(n1cc(nn1)COC)C(NC(=O)C(C)C)C(O2)C(O)C(O)CO
InChi:	InChI=1S/C17H26N4O8/c1-8(2)16(25)18-13-10(21-5-9(7-28-3)19-20-21)4-12(17(26)27)29-15(13)14(24)11(23)6-22/h4-5,8,10-11,13-15,22-24H,6-7H2,1-3H3,(H,18,25)(H,26,27)/t10-,11+,13+,14+,15+/m0/s1
Synonyms:	(2~{R},3~{R},4~{S})-4-[4-(methoxymethyl)-1,2,3-triazol-1-yl]-3-(2-methylpropanoylamino)-2-[(1~{R},2~{R})-1,2,3-tris(oxi danyl)propyl]-3,4-dihydro-2~{H}-pyran-6-carboxylic acid
Definition date:	2016-07-21
Last modified:	2020-07-17
Release date:	2017-07-12
Identifier:	2,6-anhydro-3,4,5-trideoxy-4-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]-5-[(2-methylpropanoyl)amino]-D-glycero-D-galacto -non-2-enonic acid

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

2M8

2M8
Name:	(2R)-3-hydroxy-2-(alpha-D-mannopyranosyloxy)propanoic acid
Formula:	C9 H16 O9
SMILES:	O=C(O)C(OC1OC(C(O)C(O)C1O)CO)CO
InChi:	InChI=1S/C9H16O9/c10-1-3-5(12)6(13)7(14)9(17-3)18-4(2-11)8(15)16/h3-7,9-14H,1-2H2,(H,15,16)/t3-,4-,5-,6+,7+,9-/m1/s1
Synonyms:	2-O-ALPHA-MANNOSYL-D-GLYCERATE
Definition date:	2011-07-14
Last modified:	2020-07-17
Identifier:	(2R)-3-hydroxy-2-(alpha-D-mannopyranosyloxy)propanoic acid

OTU

OTU
Name:	3-O-alpha-D-glucopyranosyl-D-fructose
Formula:	C12 H22 O11
SMILES:	O=C(C(OC1OC(C(O)C(O)C1O)CO)C(O)C(O)CO)CO
InChi:	InChI=1S/C12H22O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4,6-16,18-21H,1-3H2/t4-,6-,7-,8-,9+,10-,11-,12-/m1/s1
Synonyms:	3-O-alpha-D-glucosyl-D-fructose
Definition date:	2011-11-01
Last modified:	2020-07-17
Identifier:	3-O-alpha-D-glucopyranosyl-D-fructose

OY2

OY2
Name:	methyl 4-ethyl-1-propanoyl-2,3-dihydroquinoxaline-6-carboxylate
Formula:	C15 H20 N2 O3
SMILES:	CCN1CCN(C(=O)CC)c2ccc(cc12)C(=O)OC
InChi:	InChI=1S/C15H20N2O3/c1-4-14(18)17-9-8-16(5-2)13-10-11(15(19)20-3)6-7-12(13)17/h6-7,10H,4-5,8-9H2,1-3H3
Definition date:	2020-04-07
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	methyl 4-ethyl-1-propanoyl-2,3-dihydroquinoxaline-6-carboxylate

AMU

AMU
Name:	N-acetyl-beta-muramic acid
Formula:	C11 H19 N O8
SMILES:	O=C(O)C(OC1C(O)C(OC(O)C1NC(=O)C)CO)C
InChi:	InChI=1S/C11H19NO8/c1-4(10(16)17)19-9-7(12-5(2)14)11(18)20-6(3-13)8(9)15/h4,6-9,11,13,15,18H,3H2,1-2H3,(H,12,14)(H,16,17)/t4-,6-,7-,8-,9-,11-/m1/s1
Synonyms:	N-acetyl-muramic acid
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	2-(acetylamino)-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranose

AMV

AMV
Name:	methyl 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside
Formula:	C12 H21 N O8
SMILES:	O=C(O)C(OC1C(O)C(OC(OC)C1NC(=O)C)CO)C
InChi:	InChI=1S/C12H21NO8/c1-5(11(17)18)20-10-8(13-6(2)15)12(19-3)21-7(4-14)9(10)16/h5,7-10,12,14,16H,4H2,1-3H3,(H,13,15)(H,17,18)/t5-,7-,8-,9-,10-,12-/m1/s1
Synonyms:	METHYL 2-(ACETYLAMINO)-3-O-[(1R)-1-CARBOXYETHYL]-2-DEOXY-BETA-D-GLUCOPYRANOSIDE
Definition date:	2006-10-25
Last modified:	2020-07-17
Identifier:	methyl 2-(acetylamino)-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside

PH5

PH5
Name:	benzyl 3,5-dideoxy-5-(propanoylamino)-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid
Formula:	C19 H27 N O9
SMILES:	O=C(O)C2(OCc1ccccc1)OC(C(O)C(O)CO)C(NC(=O)CC)C(O)C2
InChi:	InChI=1S/C19H27NO9/c1-2-14(24)20-15-12(22)8-19(18(26)27,28-10-11-6-4-3-5-7-11)29-17(15)16(25)13(23)9-21/h3-7,12-13,15-17,21-23,25H,2,8-10H2,1H3,(H,20,24)(H,26,27)/t12-,13+,15+,16+,17+,19+/m0/s1
Synonyms:	2-PHENYL-PROP5AC
Definition date:	2005-06-27
Last modified:	2020-07-17
Identifier:	benzyl 3,5-dideoxy-5-(propanoylamino)-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid

8LM

8LM
Name:	2,6-anhydro-3,5-dideoxy-5-[(2-methylpropanoyl)amino]-3-(4-phenyl-1H-1,2,3-triazol-1-yl)-D-glycero-D-galacto-non-2-enoni c acid
Formula:	C21 H26 N4 O8
SMILES:	C(=O)(NC1C(O)C(=C(C(O)=O)OC1C(C(CO)O)O)n3cc(c2ccccc2)nn3)C(C)C
InChi:	InChI=1S/C21H26N4O8/c1-10(2)20(30)22-14-17(29)15(19(21(31)32)33-18(14)16(28)13(27)9-26)25-8-12(23-24-25)11-6-4-3-5-7-11/h3-8,10,13-14,16-18,26-29H,9H2,1-2H3,(H,22,30)(H,31,32)/t13-,14-,16-,17-,18-/m1/s1
Definition date:	2017-02-15
Last modified:	2020-07-17
Release date:	2018-06-27
Identifier:	2,6-anhydro-3,5-dideoxy-5-[(2-methylpropanoyl)amino]-3-(4-phenyl-1H-1,2,3-triazol-1-yl)-D-glycero-D-galacto-non-2-enoni c acid

DK0

DK0
Name:	(2~{R})-1-phenylpropan-2-ol
Formula:	C9 H12 O
SMILES:	C[CH](O)Cc1ccccc1
InChi:	InChI=1S/C9H12O/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3/t8-/m1/s1
Definition date:	2019-08-06
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	(2~{R})-1-phenylpropan-2-ol

DK6

DK6
Name:	propane-1,1-diol
Formula:	C3 H8 O2
SMILES:	CCC(O)O
InChi:	InChI=1S/C3H8O2/c1-2-3(4)5/h3-5H,2H2,1H3
Definition date:	2019-08-07
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	propane-1,1-diol

IN1

IN1
Name:	4-(beta-D-glucopyranosyloxy)-2,2-dihydroxybutyl propanoate
Formula:	C13 H24 O10
SMILES:	O=C(OCC(O)(O)CCOC1OC(C(O)C(O)C1O)CO)CC
InChi:	InChI=1S/C13H24O10/c1-2-8(15)22-6-13(19,20)3-4-21-12-11(18)10(17)9(16)7(5-14)23-12/h7,9-12,14,16-20H,2-6H2,1H3/t7-,9-,10+,11-,12-/m1/s1
Synonyms:	PROPIONIC ACID 2,2-DIHYDROXY-3-(1-GLUCOPYRANOSYLOXY)-METHYLPROPYL ESTER
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	4-(beta-D-glucopyranosyloxy)-2,2-dihydroxybutyl propanoate

IPT

IPT
Name:	1-methylethyl 1-thio-beta-D-galactopyranoside
Formula:	C9 H18 O5 S
SMILES:	S(C(C)C)C1OC(C(O)C(O)C1O)CO
InChi:	InChI=1S/C9H18O5S/c1-4(2)15-9-8(13)7(12)6(11)5(3-10)14-9/h4-13H,3H2,1-2H3/t5-,6+,7+,8-,9+/m1/s1
Synonyms:	ISOPROPYL-1-BETA-D-THIOGALACTOSIDE
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	1-methylethyl 1-thio-beta-D-galactopyranoside

TYC

TYC
Name:	L-TYROSINAMIDE
Formula:	C9 H12 N2 O2
SMILES:	O=C(N)C(N)Cc1ccc(O)cc1
InChi:	InChI=1S/C9H12N2O2/c10-8(9(11)13)5-6-1-3-7(12)4-2-6/h1-4,8,12H,5,10H2,(H2,11,13)/t8-/m0/s1
Definition date:	2004-12-06
Last modified:	2020-07-15
Identifier:	L-tyrosinamide

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