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CTT

CTT
Name:	beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranose
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
Synonyms:	CELLOTETRAOSE
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranose

045

045
Name:	beta-D-fructofuranosyl-(2->6)-beta-D-fructofuranosyl alpha-D-glucopyranoside
Formula:	C18 H32 O16
SMILES:	O1C(CO)C(O)C(O)C(O)C1OC2(OC(C(O)C2O)COC3(OC(CO)C(O)C3O)CO)CO
InChi:	InChI=1S/C18H32O16/c19-1-6-9(23)12(26)13(27)16(31-6)34-18(5-22)15(29)11(25)8(33-18)3-30-17(4-21)14(28)10(24)7(2-20)32-17/h6-16,19-29H,1-5H2/t6-,7-,8-,9-,10-,11-,12+,13-,14+,15+,16-,17-,18+/m1/s1
Synonyms:	6-KESTOSE
Definition date:	2011-11-04
Last modified:	2020-07-17
Identifier:	beta-D-fructofuranosyl-(2->6)-beta-D-fructofuranosyl alpha-D-glucopyranoside

D0N

D0N
Name:	(2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{R},4~{R},5~{S},6~{S})-4-fluoranyl-2-(hydroxymethyl)-5,6-bis(oxidanyl)oxan- 3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Formula:	C12 H21 F O10
SMILES:	OC[CH]1O[CH](O[CH]2[CH](F)[CH](O)[CH](O)O[CH]2CO)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C12H21FO10/c13-5-7(17)11(20)21-4(2-15)10(5)23-12-9(19)8(18)6(16)3(1-14)22-12/h3-12,14-20H,1-2H2/t3-,4-,5-,6-,7-,8+,9-,10-,11+,12-/m1/s1
Definition date:	2017-12-15
Last modified:	2020-07-17
Release date:	2019-01-30
Identifier:	(2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{R},4~{R},5~{S},6~{S})-4-fluoranyl-2-(hydroxymethyl)-5,6-bis(oxidanyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

05L

05L
Name:	heptyl 1-seleno-beta-D-glucopyranoside
Formula:	C13 H26 O5 Se
SMILES:	[Se](CCCCCCC)C1OC(C(O)C(O)C1O)CO
InChi:	InChI=1S/C13H26O5Se/c1-2-3-4-5-6-7-19-13-12(17)11(16)10(15)9(8-14)18-13/h9-17H,2-8H2,1H3/t9-,10-,11+,12-,13+/m1/s1
Synonyms:	heptyl 1-seleno-beta-D-glucoside
Definition date:	2011-11-29
Last modified:	2020-07-17
Identifier:	heptyl 1-seleno-beta-D-glucopyranoside

D1M

D1M
Name:	5-ethynyl-1-(beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione
Formula:	C12 H14 N2 O7
SMILES:	O=C1NC(=O)N(C=C1C#C)C2OC(C(O)C(O)C2O)CO
InChi:	InChI=1S/C12H14N2O7/c1-2-5-3-14(12(20)13-10(5)19)11-9(18)8(17)7(16)6(4-15)21-11/h1,3,6-9,11,15-18H,4H2,(H,13,19,20)/t6-,7-,8+,9-,11-/m1/s1
Synonyms:	5-ethynyl-1-(beta-D-glucosyl)pyrimidine-2,4(1H,3H)-dione
Definition date:	2012-04-12
Last modified:	2020-07-17
Identifier:	5-ethynyl-1-(beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione

KFN

KFN
Name:	2,6-anhydro-3-deoxy-D-glycero-D-galacto-non-2-enonic acid
Formula:	C9 H14 O8
SMILES:	OC[CH](O)[CH](O)[CH]1OC(=C[CH](O)[CH]1O)C(O)=O
InChi:	InChI=1S/C9H14O8/c10-2-4(12)7(14)8-6(13)3(11)1-5(17-8)9(15)16/h1,3-4,6-8,10-14H,2H2,(H,15,16)/t3-,4+,6+,7+,8+/m0/s1
Synonyms:	(4S,5R,6R)-4,5-DIHYDROXY-6-[(1R,2R)-1,2,3-TRIHYDROXYPROPYL]-5,6-DIHYDRO-4H-PYRAN-2-CARBOXYLIC ACID
Definition date:	2010-11-26
Last modified:	2020-07-17
Identifier:	(4S,5R,6R)-4,5-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-5,6-dihydro-4H-pyran-2-carboxylic acid

KG1

KG1
Name:	propadienyl 6-deoxy-alpha-L-galactopyranoside
Formula:	C9 H14 O5
SMILES:	C[CH]1O[CH](O[CH]=[C]=[CH2])[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C9H14O5/c1-3-4-13-9-8(12)7(11)6(10)5(2)14-9/h4-12H,1H2,2H3/t5-,6+,7+,8-,9+/m0/s1
Synonyms:	propargyl-fucoside
Definition date:	2017-12-04
Last modified:	2020-07-17
Release date:	2018-01-31
Identifier:	(2~{S},3~{S},4~{R},5~{S},6~{R})-2-methyl-6-propa-1,2-dienoxy-oxane-3,4,5-triol

KGM

KGM
Name:	heptyl alpha-D-mannopyranoside
Formula:	C13 H26 O6
SMILES:	O(CCCCCCC)C1OC(C(O)C(O)C1O)CO
InChi:	InChI=1S/C13H26O6/c1-2-3-4-5-6-7-18-13-12(17)11(16)10(15)9(8-14)19-13/h9-17H,2-8H2,1H3/t9-,10-,11+,12+,13+/m1/s1
Synonyms:	Heptyl Alpha-D-mannopyrannoside
Definition date:	2013-06-23
Last modified:	2020-07-17
Release date:	2014-02-12
Identifier:	heptyl alpha-D-mannopyranoside

KHP

KHP
Name:	4-nitrophenyl alpha-L-arabinofuranoside
Formula:	C11 H13 N O7
SMILES:	[O-][N+](=O)c2ccc(OC1OC(C(O)C1O)CO)cc2
InChi:	InChI=1S/C11H13NO7/c13-5-8-9(14)10(15)11(19-8)18-7-3-1-6(2-4-7)12(16)17/h1-4,8-11,13-15H,5H2/t8-,9-,10+,11+/m0/s1
Synonyms:	2-HYDROXYMETHYL-5-(4-NITRO-PHENOXY)-TETRAHYDRO-FURAN-3,4-DIOL
Definition date:	2003-09-12
Last modified:	2020-07-17
Identifier:	4-nitrophenyl alpha-L-arabinofuranoside

KME

KME
Name:	(1E)-prop-1-en-1-yl 3-deoxy-7-O-methyl-alpha-D-manno-oct-2-ulopyranosidonic acid
Formula:	C12 H20 O8
SMILES:	O=C(O)C1(O/C=C/C)OC(C(O)C(O)C1)C(OC)CO
InChi:	InChI=1S/C12H20O8/c1-3-4-19-12(11(16)17)5-7(14)9(15)10(20-12)8(6-13)18-2/h3-4,7-10,13-15H,5-6H2,1-2H3,(H,16,17)/b4-3+/t7-,8-,9-,10-,12-/m1/s1
Synonyms:	(1E)-prop-1-en-1-yl 3-deoxy-7-O-methyl-alpha-D-manno-oct-2-ulosidonic acid
Definition date:	2009-08-06
Last modified:	2020-07-17
Identifier:	(1E)-prop-1-en-1-yl 3-deoxy-7-O-methyl-alpha-D-manno-oct-2-ulopyranosidonic acid

KO1

KO1
Name:	D-glycero-alpha-D-talo-oct-2-ulopyranosonic acid
Formula:	C8 H14 O9
SMILES:	O=C(O)C1(O)OC(C(O)CO)C(O)C(O)C1O
InChi:	InChI=1S/C8H14O9/c9-1-2(10)5-3(11)4(12)6(13)8(16,17-5)7(14)15/h2-6,9-13,16H,1H2,(H,14,15)/t2-,3-,4+,5-,6+,8-/m1/s1
Synonyms:	D-glycero-alpha-D-talo-oct-2-ulosonic acid
Definition date:	2008-01-15
Last modified:	2020-07-17
Identifier:	D-glycero-alpha-D-talo-oct-2-ulopyranosonic acid

KO2

KO2
Name:	prop-2-en-1-yl D-glycero-alpha-D-talo-oct-2-ulopyranosidonic acid
Formula:	C11 H18 O9
SMILES:	O=C(O)C1(OCC=C)OC(C(O)CO)C(O)C(O)C1O
InChi:	InChI=1S/C11H18O9/c1-2-3-19-11(10(17)18)9(16)7(15)6(14)8(20-11)5(13)4-12/h2,5-9,12-16H,1,3-4H2,(H,17,18)/t5-,6-,7+,8-,9+,11-/m1/s1
Synonyms:	prop-2-en-1-yl D-glycero-alpha-D-talo-oct-2-ulosidonic acid
Definition date:	2008-01-18
Last modified:	2020-07-17
Identifier:	prop-2-en-1-yl D-glycero-alpha-D-talo-oct-2-ulopyranosidonic acid

KOT

KOT
Name:	1-beta-D-glucopyranosyl-4-phenyl-1H-1,2,3-triazole
Formula:	C14 H17 N3 O5
SMILES:	n1nn(cc1c2ccccc2)C3OC(C(O)C(O)C3O)CO
InChi:	InChI=1S/C14H17N3O5/c18-7-10-11(19)12(20)13(21)14(22-10)17-6-9(15-16-17)8-4-2-1-3-5-8/h1-6,10-14,18-21H,7H2/t10-,11-,12+,13-,14-/m1/s1
Synonyms:	1-beta-D-glucosyl-4-phenyl-1H-1,2,3-triazole
Definition date:	2009-02-05
Last modified:	2020-07-17
Identifier:	1-beta-D-glucopyranosyl-4-phenyl-1H-1,2,3-triazole

KTU

KTU
Name:	prop-2-en-1-yl 3,5-dideoxy-alpha-D-threo-oct-5-en-2-ulopyranosidonic acid
Formula:	C11 H16 O7
SMILES:	C=CCOC1(C(O)=O)OC(C(CO)O)=CC(C1)O
InChi:	InChI=1S/C11H16O7/c1-2-3-17-11(10(15)16)5-7(13)4-9(18-11)8(14)6-12/h2,4,7-8,12-14H,1,3,5-6H2,(H,15,16)/t7-,8+,11+/m0/s1
Synonyms:	prop-2-en-1-yl 3,5-dideoxy-alpha-D-threo-oct-5-en-2-ulosidonic acid
Definition date:	2012-10-12
Last modified:	2020-07-17
Release date:	2013-01-04
Identifier:	prop-2-en-1-yl 3,5-dideoxy-alpha-D-threo-oct-5-en-2-ulopyranosidonic acid

DYM

DYM
Name:	(2R)-2,3-dihydroxypropyl 2-acetamido-2,4-dideoxy-alpha-L-threo-hex-4-enopyranosiduronic acid
Formula:	C11 H17 N O8
SMILES:	C(C1=CC(C(C(O1)OCC(CO)O)NC(C)=O)O)(=O)O
InChi:	InChI=1S/C11H17NO8/c1-5(14)12-9-7(16)2-8(10(17)18)20-11(9)19-4-6(15)3-13/h2,6-7,9,11,13,15-16H,3-4H2,1H3,(H,12,14)(H,17,18)/t6-,7+,9-,11-/m1/s1
Synonyms:	6-(2,3-DIHYDROXYPROPOXY)-5-ACETAMIDO-5,6-DIHYDRO-4-HYDROXY-4H-PYRAN-2-CARBOXYLIC ACID
Definition date:	2005-11-28
Last modified:	2020-07-17
Identifier:	(2R)-2,3-dihydroxypropyl 2-(acetylamino)-2,4-dideoxy-alpha-L-threo-hex-4-enopyranosiduronic acid

E3M

E3M
Name:	(1R)-4-acetamido-3-amino-1,5-anhydro-2,3,4-trideoxy-1-sulfo-D-glycero-D-galacto-octitol
Formula:	C10 H20 N2 O8 S
SMILES:	C1(OC(C(C(C1)N)NC(C)=O)C(C(CO)O)O)S(O)(=O)=O
InChi:	InChI=1S/C10H20N2O8S/c1-4(14)12-8-5(11)2-7(21(17,18)19)20-10(8)9(16)6(15)3-13/h5-10,13,15-16H,2-3,11H2,1H3,(H,12,14)(H,17,18,19)/t5-,6+,7+,8+,9+,10+/m0/s1
Synonyms:	(1R)-4-(acetylamino)-3-amino-1,5-anhydro-2,3,4-trideoxy-1-sulfo-D-glycero-D-galacto-octitol
Definition date:	2017-11-30
Last modified:	2020-07-17
Release date:	2018-03-07
Identifier:	(1R)-4-(acetylamino)-3-amino-1,5-anhydro-2,3,4-trideoxy-1-sulfo-D-glycero-D-galacto-octitol

E5G

E5G
Name:	5-hydroxypentyl alpha-D-glucopyranoside
Formula:	C11 H22 O7
SMILES:	O(CCCCCO)C1OC(C(O)C(O)C1O)CO
InChi:	InChI=1S/C11H22O7/c12-4-2-1-3-5-17-11-10(16)9(15)8(14)7(6-13)18-11/h7-16H,1-6H2/t7-,8-,9+,10-,11+/m1/s1
Synonyms:	5-hydroxypentyl alpha-D-glucoside
Definition date:	2012-01-11
Last modified:	2020-07-17
Identifier:	5-hydroxypentyl alpha-D-glucopyranoside

EAG

EAG
Name:	2-aminoethyl 2-acetamido-2-deoxy-beta-D-glucopyranoside
Formula:	C10 H20 N2 O6
SMILES:	O=C(NC1C(O)C(O)C(OC1OCCN)CO)C
InChi:	InChI=1S/C10H20N2O6/c1-5(14)12-7-9(16)8(15)6(4-13)18-10(7)17-3-2-11/h6-10,13,15-16H,2-4,11H2,1H3,(H,12,14)/t6-,7-,8-,9-,10-/m1/s1
Synonyms:	2-aminoethyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside
Definition date:	2008-01-23
Last modified:	2020-07-17
Identifier:	2-aminoethyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside

EBG

EBG
Name:	2-[(2S)-oxiran-2-yl]ethyl alpha-D-glucopyranoside
Formula:	C10 H18 O7
SMILES:	O(CCC1OC1)C2OC(C(O)C(O)C2O)CO
InChi:	InChI=1S/C10H18O7/c11-3-6-7(12)8(13)9(14)10(17-6)15-2-1-5-4-16-5/h5-14H,1-4H2/t5-,6+,7+,8-,9+,10-/m0/s1
Synonyms:	2-HYDROXYMETHYL-6-(2-OXIRANYL-ETHOXY)-TETRAHYDRO-PYRAN-3,4,5-TRIOL
Definition date:	2002-11-28
Last modified:	2020-07-17
Identifier:	2-[(2S)-oxiran-2-yl]ethyl alpha-D-glucopyranoside

KWW

KWW
Name:	1-(2-azanylethyl)-3-(3,4-dichlorophenyl)-~{N}-(phenylmethyl)pyrazole-4-carboxamide
Formula:	C19 H18 Cl2 N4 O
SMILES:	NCCn1cc(C(=O)NCc2ccccc2)c(n1)c3ccc(Cl)c(Cl)c3
InChi:	InChI=1S/C19H18Cl2N4O/c20-16-7-6-14(10-17(16)21)18-15(12-25(24-18)9-8-22)19(26)23-11-13-4-2-1-3-5-13/h1-7,10,12H,8-9,11,22H2,(H,23,26)
Definition date:	2019-07-02
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	1-(2-azanylethyl)-3-(3,4-dichlorophenyl)-~{N}-(phenylmethyl)pyrazole-4-carboxamide

KX5

KX5
Name:	3-[3-(3,4-dichlorophenyl)-4-(2-phenylethylcarbamoyl)pyrazol-1-yl]propanoic acid
Formula:	C21 H19 Cl2 N3 O3
SMILES:	OC(=O)CCn1cc(C(=O)NCCc2ccccc2)c(n1)c3ccc(Cl)c(Cl)c3
InChi:	InChI=1S/C21H19Cl2N3O3/c22-17-7-6-15(12-18(17)23)20-16(13-26(25-20)11-9-19(27)28)21(29)24-10-8-14-4-2-1-3-5-14/h1-7,12-13H,8-11H2,(H,24,29)(H,27,28)
Definition date:	2019-07-02
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	3-[3-(3,4-dichlorophenyl)-4-(2-phenylethylcarbamoyl)pyrazol-1-yl]propanoic acid

KX8

KX8
Name:	4-[3-(3,4-dichlorophenyl)-4-[(phenylmethyl)carbamoyl]pyrazol-1-yl]butanoic acid
Formula:	C21 H19 Cl2 N3 O3
SMILES:	OC(=O)CCCn1cc(C(=O)NCc2ccccc2)c(n1)c3ccc(Cl)c(Cl)c3
InChi:	InChI=1S/C21H19Cl2N3O3/c22-17-9-8-15(11-18(17)23)20-16(13-26(25-20)10-4-7-19(27)28)21(29)24-12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,13H,4,7,10,12H2,(H,24,29)(H,27,28)
Definition date:	2019-07-02
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	4-[3-(3,4-dichlorophenyl)-4-[(phenylmethyl)carbamoyl]pyrazol-1-yl]butanoic acid

KXE

KXE
Name:	3-[3-(3,4-dichlorophenyl)-4-[(phenylmethyl)carbamoyl]pyrazol-1-yl]propanoic acid
Formula:	C20 H17 Cl2 N3 O3
SMILES:	OC(=O)CCn1cc(C(=O)NCc2ccccc2)c(n1)c3ccc(Cl)c(Cl)c3
InChi:	InChI=1S/C20H17Cl2N3O3/c21-16-7-6-14(10-17(16)22)19-15(12-25(24-19)9-8-18(26)27)20(28)23-11-13-4-2-1-3-5-13/h1-7,10,12H,8-9,11H2,(H,23,28)(H,26,27)
Definition date:	2019-07-03
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	3-[3-(3,4-dichlorophenyl)-4-[(phenylmethyl)carbamoyl]pyrazol-1-yl]propanoic acid

KXH

KXH
Name:	ethyl 1-(4-azanylbutyl)-3-(3,4-dichlorophenyl)pyrazole-4-carboxylate
Formula:	C16 H19 Cl2 N3 O2
SMILES:	CCOC(=O)c1cn(CCCCN)nc1c2ccc(Cl)c(Cl)c2
InChi:	InChI=1S/C16H19Cl2N3O2/c1-2-23-16(22)12-10-21(8-4-3-7-19)20-15(12)11-5-6-13(17)14(18)9-11/h5-6,9-10H,2-4,7-8,19H2,1H3
Definition date:	2019-07-03
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	ethyl 1-(4-azanylbutyl)-3-(3,4-dichlorophenyl)pyrazole-4-carboxylate

KYK

KYK
Name:	N6-benzyl-(alpha,beta)-methylene-ADP
Formula:	C18 H23 N5 O9 P2
SMILES:	O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)C[P](O)(O)=O)n2cnc3c(NCc4ccccc4)ncnc23
InChi:	InChI=1S/C18H23N5O9P2/c24-14-12(7-31-34(29,30)10-33(26,27)28)32-18(15(14)25)23-9-22-13-16(20-8-21-17(13)23)19-6-11-4-2-1-3-5-11/h1-5,8-9,12,14-15,18,24-25H,6-7,10H2,(H,29,30)(H,19,20,21)(H2,26,27,28)/t12-,14-,15-,18-/m1/s1
Definition date:	2019-07-05
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	[[(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-[6-[(phenylmethyl)amino]purin-9-yl]oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid

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