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40J

40J
Name:	1,6-dichloro-1,6-dideoxy-beta-D-fructofuranosyl 4-chloro-4-deoxy-alpha-D-galactopyranoside
Formula:	C12 H19 Cl3 O8
SMILES:	ClC2C(OC(OC1(OC(C(O)C1O)CCl)CCl)C(O)C2O)CO
InChi:	InChI=1S/C12H19Cl3O8/c13-1-4-7(17)10(20)12(3-14,22-4)23-11-9(19)8(18)6(15)5(2-16)21-11/h4-11,16-20H,1-3H2/t4-,5-,6+,7-,8+,9-,10+,11-,12+/m1/s1
Synonyms:	sucralose
Definition date:	2015-01-02
Last modified:	2020-07-17
Release date:	2015-12-23
Identifier:	1,6-dichloro-1,6-dideoxy-beta-D-fructofuranosyl 4-chloro-4-deoxy-alpha-D-galactopyranoside

LKA

LKA
Name:	5-thio-alpha-D-mannopyranosylamine
Formula:	C6 H13 N O4 S
SMILES:	OC1C(O)C(SC(N)C1O)CO
InChi:	InChI=1S/C6H13NO4S/c7-6-5(11)4(10)3(9)2(1-8)12-6/h2-6,8-11H,1,7H2/t2-,3-,4+,5+,6+/m1/s1
Synonyms:	5-THIO-A/B-D-MANNOPYRANOSYLAMINE
Definition date:	2003-10-07
Last modified:	2020-07-17
Identifier:	5-thio-alpha-D-mannopyranosylamine

LKS

LKS
Name:	N-[(1Z)-2-phenylethanimidoyl]-5-thio-alpha-D-mannopyranosylamine
Formula:	C14 H20 N2 O4 S
SMILES:	[N@H]=C(NC1SC(C(O)C(O)C1O)CO)Cc2ccccc2
InChi:	InChI=1S/C14H20N2O4S/c15-10(6-8-4-2-1-3-5-8)16-14-13(20)12(19)11(18)9(7-17)21-14/h1-5,9,11-14,17-20H,6-7H2,(H2,15,16)/t9-,11-,12+,13+,14+/m1/s1
Synonyms:	N-(1-IMINIO-2-PHENYLETHYL)-5-THIOHEXOPYRANOSYLAMINE BROMIDE
Definition date:	2003-10-08
Last modified:	2020-07-17
Identifier:	N-[(1Z)-2-phenylethanimidoyl]-5-thio-alpha-D-mannopyranosylamine

JZR

JZR
Name:	hexyl beta-D-glucopyranoside
Formula:	C12 H24 O6
SMILES:	CCCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C12H24O6/c1-2-3-4-5-6-17-12-11(16)10(15)9(14)8(7-13)18-12/h8-16H,2-7H2,1H3/t8-,9-,10+,11-,12-/m1/s1
Synonyms:	hexyl beta-D-glucoside
Definition date:	2009-11-11
Last modified:	2020-07-17
Identifier:	(2R,3R,4S,5S,6R)-2-hexoxy-6-(hydroxymethyl)oxane-3,4,5-triol

445

445
Name:	N-[oxo(phenylamino)acetyl]-beta-D-glucopyranosylamine
Formula:	C14 H18 N2 O7
SMILES:	O=C(NC1OC(C(O)C(O)C1O)CO)C(=O)Nc2ccccc2
InChi:	InChI=1S/C14H18N2O7/c17-6-8-9(18)10(19)11(20)14(23-8)16-13(22)12(21)15-7-4-2-1-3-5-7/h1-5,8-11,14,17-20H,6H2,(H,15,21)(H,16,22)/t8-,9-,10+,11-,14-/m1/s1
Synonyms:	N-[oxo(phenylamino)acetyl]-beta-D-glucosylamine
Definition date:	2008-04-23
Last modified:	2020-07-17
Identifier:	N-[oxo(phenylamino)acetyl]-beta-D-glucopyranosylamine

44S

44S
Name:	2-deoxy-6-O-phosphono-beta-D-lyxo-hexofuranose
Formula:	C6 H13 O8 P
SMILES:	O=P(O)(O)OCC(O)C1OC(O)CC1O
InChi:	InChI=1S/C6H13O8P/c7-3-1-5(9)14-6(3)4(8)2-13-15(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4-,5-,6-/m1/s1
Synonyms:	tagatose-6-phosphate, bound form
Definition date:	2015-02-11
Last modified:	2020-07-17
Release date:	2016-01-20
Identifier:	2-deoxy-6-O-phosphono-beta-D-lyxo-hexofuranose

46Z

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

475

475
Name:	N-[oxo(pyridin-2-ylamino)acetyl]-beta-D-glucopyranosylamine
Formula:	C13 H17 N3 O7
SMILES:	O=C(NC1OC(C(O)C(O)C1O)CO)C(=O)Nc2ncccc2
InChi:	InChI=1S/C13H17N3O7/c17-5-6-8(18)9(19)10(20)13(23-6)16-12(22)11(21)15-7-3-1-2-4-14-7/h1-4,6,8-10,13,17-20H,5H2,(H,16,22)(H,14,15,21)/t6-,8-,9+,10-,13-/m1/s1
Synonyms:	N-[oxo(pyridin-2-ylamino)acetyl]-beta-D-glucosylamine
Definition date:	2008-04-23
Last modified:	2020-07-17
Identifier:	N-[oxo(pyridin-2-ylamino)acetyl]-beta-D-glucopyranosylamine

K4W

K4W
Name:	4-[[[5-nitroso-2-[[(2~{R})-1-oxidanylbutan-2-yl]amino]-6-(propan-2-ylamino)pyrimidin-4-yl]amino]methyl]phenol
Formula:	C18 H26 N6 O3
SMILES:	CC[CH](CO)Nc1nc(NCc2ccc(O)cc2)c(N=O)c(NC(C)C)n1
InChi:	InChI=1S/C18H26N6O3/c1-4-13(10-25)21-18-22-16(15(24-27)17(23-18)20-11(2)3)19-9-12-5-7-14(26)8-6-12/h5-8,11,13,25-26H,4,9-10H2,1-3H3,(H3,19,20,21,22,23)/t13-/m1/s1
Definition date:	2019-04-24
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	4-[[[5-nitroso-2-[[(2~{R})-1-oxidanylbutan-2-yl]amino]-6-(propan-2-ylamino)pyrimidin-4-yl]amino]methyl]phenol

K5B

K5B
Name:	4,7-anhydro-3-deoxy-D-gluco-oct-2-ulosonic acid
Formula:	C8 H12 O7
SMILES:	OC[CH]1O[CH](CC(=O)C(O)=O)[CH](O)[CH]1O
InChi:	InChI=1S/C8H12O7/c9-2-5-7(12)6(11)4(15-5)1-3(10)8(13)14/h4-7,9,11-12H,1-2H2,(H,13,14)/t4-,5+,6+,7+/m0/s1
Synonyms:	4,7-anhydro-3-deoxy-D-manno-oct-2-ulosonic acid
Definition date:	2017-09-07
Last modified:	2020-07-17
Release date:	2018-06-20
Identifier:	3-[(2~{S},3~{S},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanylidene-propanoic acid

491

491
Name:	2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-1-O-phosphono-alpha-D-glucopyranose
Formula:	C11 H20 N O11 P
SMILES:	O=C(O)C(OC1C(O)C(OC(OP(=O)(O)O)C1NC(=O)C)CO)C
InChi:	InChI=1S/C11H20NO11P/c1-4(10(16)17)21-9-7(12-5(2)14)11(23-24(18,19)20)22-6(3-13)8(9)15/h4,6-9,11,13,15H,3H2,1-2H3,(H,12,14)(H,16,17)(H2,18,19,20)/t4-,6-,7-,8-,9-,11-/m1/s1
Synonyms:	2-(acetylamino)-3-O-[(1R)-1-carboxyethyl]-2-deoxy-1-O-phosphono-alpha-D-glucopyranose
Definition date:	2015-02-16
Last modified:	2020-07-17
Release date:	2015-03-18
Identifier:	2-(acetylamino)-3-O-[(1R)-1-carboxyethyl]-2-deoxy-1-O-phosphono-alpha-D-glucopyranose

49S

49S
Name:	2-acetamido-2-deoxy-beta-D-mannopyranuronic acid
Formula:	C8 H13 N O7
SMILES:	O=C(O)C1OC(O)C(NC(=O)C)C(O)C1O
InChi:	InChI=1S/C8H13NO7/c1-2(10)9-3-4(11)5(12)6(7(13)14)16-8(3)15/h3-6,8,11-12,15H,1H3,(H,9,10)(H,13,14)/t3-,4+,5-,6-,8+/m0/s1
Synonyms:	2-(acetylamino)-2-deoxy-beta-D-mannopyranuronic acid
Definition date:	2015-02-18
Last modified:	2020-07-17
Release date:	2017-02-01
Identifier:	2-(acetylamino)-2-deoxy-beta-D-mannopyranuronic acid

49T

49T
Name:	2-acetamido-2-deoxy-alpha-D-fucopyranose
Formula:	C8 H15 N O5
SMILES:	O=C(NC1C(O)C(O)C(OC1O)C)C
InChi:	InChI=1S/C8H15NO5/c1-3-6(11)7(12)5(8(13)14-3)9-4(2)10/h3,5-8,11-13H,1-2H3,(H,9,10)/t3-,5-,6+,7-,8+/m1/s1
Synonyms:	2-acetamido-2,6-deoxy-alpha-D-galactopyranose
Definition date:	2015-02-18
Last modified:	2020-07-17
Release date:	2017-02-01
Identifier:	2-(acetylamino)-2,6-dideoxy-alpha-D-galactopyranose

49V

49V
Name:	2-acetamido-2,4-dideoxy-alpha-L-erythro-hex-4-enopyranuronic acid
Formula:	C8 H11 N O6
SMILES:	O=C(O)C=1OC(O)C(NC(=O)C)C(O)C=1
InChi:	InChI=1S/C8H11NO6/c1-3(10)9-6-4(11)2-5(7(12)13)15-8(6)14/h2,4,6,8,11,14H,1H3,(H,9,10)(H,12,13)/t4-,6-,8?/m0/s1
Synonyms:	2-(acetylamino)-2,4-dideoxy-alpha-L-erythro-hex-4-enopyranuronic acid
Definition date:	2015-02-18
Last modified:	2020-07-17
Release date:	2017-02-01
Identifier:	2-(acetylamino)-2,4-dideoxy-alpha-L-erythro-hex-4-enopyranuronic acid

K8Q

K8Q
Name:	4-(4-bromanyl-2-oxidanylidene-3~{H}-benzimidazol-1-yl)-~{N}-(4-iodophenyl)piperidine-1-carboxamide
Formula:	C19 H18 Br I N4 O2
SMILES:	Brc1cccc2N(C3CCN(CC3)C(=O)Nc4ccc(I)cc4)C(=O)Nc12
InChi:	InChI=1S/C19H18BrIN4O2/c20-15-2-1-3-16-17(15)23-19(27)25(16)14-8-10-24(11-9-14)18(26)22-13-6-4-12(21)5-7-13/h1-7,14H,8-11H2,(H,22,26)(H,23,27)
Definition date:	2019-05-03
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	4-(4-bromanyl-2-oxidanylidene-3~{H}-benzimidazol-1-yl)-~{N}-(4-iodophenyl)piperidine-1-carboxamide

AQA

AQA
Name:	4-deoxy-beta-L-threo-hex-4-enopyranuronic acid
Formula:	C6 H8 O6
SMILES:	O=C(O)C=1OC(C(C(C=1)O)O)O
InChi:	InChI=1S/C6H8O6/c7-2-1-3(5(9)10)12-6(11)4(2)8/h1-2,4,6-8,11H,(H,9,10)/t2-,4+,6-/m0/s1
Synonyms:	4-deoxy-beta-L-threo-hex-4-enuronic acid
Definition date:	2011-06-24
Last modified:	2020-07-17
Identifier:	4-deoxy-beta-L-threo-hex-4-enopyranuronic acid

ARA

ARA
Name:	alpha-L-arabinopyranose
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:	alpha-L-arabinose
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	alpha-L-arabinopyranose

ARB

ARB
Name:	beta-L-arabinopyranose
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-arabinose
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	beta-L-arabinopyranose

ARI

ARI
Name:	(2R,3R,6R)-6-hydroxy-2-methyltetrahydro-2H-pyran-3-yl acetate
Formula:	C8 H14 O4
SMILES:	O=C(OC1C(OC(O)CC1)C)C
InChi:	InChI=1S/C8H14O4/c1-5-7(12-6(2)9)3-4-8(10)11-5/h5,7-8,10H,3-4H2,1-2H3/t5-,7-,8-/m1/s1
Synonyms:	[O4]-ACETOXY-2,3-DIDEOXYFUCOSE
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	(2R,3R,6R)-6-hydroxy-2-methyltetrahydro-2H-pyran-3-yl acetate

ARW

ARW
Name:	methyl beta-D-arabinopyranoside
Formula:	C6 H12 O5
SMILES:	OC1C(O)C(O)COC1OC
InChi:	InChI=1S/C6H12O5/c1-10-6-5(9)4(8)3(7)2-11-6/h3-9H,2H2,1H3/t3-,4-,5+,6-/m1/s1
Synonyms:	methyl beta-D-arabinoside
Definition date:	2005-04-12
Last modified:	2020-07-17
Identifier:	methyl beta-D-arabinopyranoside

KBA

KBA
Name:	2-(1H-1,2,3-triazol-1-yl)ethyl 6-deoxy-alpha-L-galactopyranoside
Formula:	C10 H17 N3 O5
SMILES:	C[CH]1O[CH](OCCn2ccnn2)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C10H17N3O5/c1-6-7(14)8(15)9(16)10(18-6)17-5-4-13-3-2-11-12-13/h2-3,6-10,14-16H,4-5H2,1H3/t6-,7+,8+,9-,10+/m0/s1
Synonyms:	(2~{S},3~{S},4~{R},5~{S},6~{R})-2-methyl-6-[2-(1,2,3-triazol-1-yl)ethoxy]oxane-3,4,5-triol
Definition date:	2018-06-28
Last modified:	2020-07-17
Release date:	2018-08-22
Identifier:	(2~{S},3~{S},4~{R},5~{S},6~{R})-2-methyl-6-[2-(1,2,3-triazol-1-yl)ethoxy]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

KD5

KD5
Name:	4,7-anhydro-3-deoxy-D-manno-oct-2-ulosonic acid
Formula:	C8 H12 O7
SMILES:	O=C(O)C(=O)CC1OC(CO)C(O)C1O
InChi:	InChI=1S/C8H12O7/c9-2-5-7(12)6(11)4(15-5)1-3(10)8(13)14/h4-7,9,11-12H,1-2H2,(H,13,14)/t4?,5-,6-,7-/m1/s1
Definition date:	2012-03-22
Last modified:	2020-07-17
Release date:	2013-03-27
Identifier:	4,7-anhydro-3-deoxy-D-manno-oct-2-ulosonic acid

KDB

KDB
Name:	3,4,5-trideoxy-alpha-D-erythro-oct-3-en-2-ulopyranosonic acid
Formula:	C8 H12 O6
SMILES:	OC1(C(=O)O)C=CCC(C(CO)O)O1
InChi:	InChI=1S/C8H12O6/c9-4-5(10)6-2-1-3-8(13,14-6)7(11)12/h1,3,5-6,9-10,13H,2,4H2,(H,11,12)/t5-,6+,8-/m1/s1
Synonyms:	3,4-dehydro-3,4,5-trideoxy-alpha-D-manno-oct-2-ulosonic acid
Definition date:	2008-01-04
Last modified:	2020-07-17
Identifier:	3,4,5-trideoxy-alpha-D-erythro-oct-3-en-2-ulopyranosonic acid

KDM

KDM
Name:	deamino-alpha-neuraminic acid
Formula:	C9 H16 O9
SMILES:	OC[CH](O)[CH](O)[CH]1O[C](O)(C[CH](O)[CH]1O)C(O)=O
InChi:	InChI=1S/C9H16O9/c10-2-4(12)6(14)7-5(13)3(11)1-9(17,18-7)8(15)16/h3-7,10-14,17H,1-2H2,(H,15,16)/t3-,4+,5+,6+,7+,9+/m0/s1
Synonyms:	alpha-deaminoneuraminic acid
Definition date:	2010-11-26
Last modified:	2020-07-17
Identifier:	(2R,4S,5R,6R)-2,4,5-trihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

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