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51N

51N
Name:	5-O-[(R)-hydroxy(phosphonooxy)phosphoryl]-1-O-phosphono-alpha-D-ribofuranose
Formula:	C5 H13 O14 P3
SMILES:	C1(OP(O)(O)=O)OC(C(C1O)O)COP(OP(O)(O)=O)(=O)O
InChi:	InChI=1S/C5H13O14P3/c6-3-2(1-16-22(14,15)19-21(11,12)13)17-5(4(3)7)18-20(8,9)10/h2-7H,1H2,(H,14,15)(H2,8,9,10)(H2,11,12,13)/t2-,3-,4-,5-/m1/s1
Synonyms:	1'-ALPHA-PHOSPHORIBOSYL-5'-PYROPHOSPHORIC ACID
Definition date:	2015-06-15
Last modified:	2020-07-17
Release date:	2016-07-20
Identifier:	5-O-[(R)-hydroxy(phosphonooxy)phosphoryl]-1-O-phosphono-alpha-D-ribofuranose

M1F

M1F
Name:	alpha-maltose 1-phosphate
Formula:	C12 H23 O14 P
SMILES:	O=P(O)(OC2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO)O
InChi:	InChI=1S/C12H23O14P/c13-1-3-5(15)6(16)8(18)11(23-3)25-10-4(2-14)24-12(9(19)7(10)17)26-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12-/m1/s1
Definition date:	2014-01-21
Last modified:	2020-07-17
Release date:	2014-05-21
Identifier:	4-O-alpha-D-glucopyranosyl-1-O-phosphono-alpha-D-glucopyranose

M1P

M1P
Name:	1-O-phosphono-alpha-D-mannopyranose
Formula:	C6 H13 O9 P
SMILES:	O=P(OC1OC(C(O)C(O)C1O)CO)(O)O
InChi:	InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5+,6-/m1/s1
Synonyms:	ALPHA-D-MANNOSE 1-PHOSPHATE
Definition date:	2003-05-22
Last modified:	2020-07-17
Identifier:	1-O-phosphono-alpha-D-mannopyranose

M2F

M2F
Name:	2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-D-mannopyranoside
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-mannoside
Definition date:	2009-03-02
Last modified:	2020-07-17
Identifier:	2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-D-mannopyranoside

56N

56N
Name:	phenyl beta-D-galactopyranoside
Formula:	C12 H16 O6
SMILES:	OC1C(OC(C(O)C1O)CO)Oc2ccccc2
InChi:	InChI=1S/C12H16O6/c13-6-8-9(14)10(15)11(16)12(18-8)17-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9+,10+,11-,12-/m1/s1
Synonyms:	phenyl beta-D-galactoside
Definition date:	2015-08-05
Last modified:	2020-07-17
Release date:	2015-11-25
Identifier:	phenyl beta-D-galactopyranoside

QMZ

QMZ
Name:	[(3~{S})-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
Formula:	C20 H23 N5 O4
SMILES:	COc1cc(cc(OC)c1OC)C(=O)N2CCC[CH](C2)c3ccnc4ncnn34
InChi:	InChI=1S/C20H23N5O4/c1-27-16-9-14(10-17(28-2)18(16)29-3)19(26)24-8-4-5-13(11-24)15-6-7-21-20-22-12-23-25(15)20/h6-7,9-10,12-13H,4-5,8,11H2,1-3H3/t13-/m0/s1
Definition date:	2020-07-06
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	[(3~{S})-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

57S

57S
Name:	4-O-[2-acetamido-2-deoxy-beta-D-glucopyranosyl]-5-O-phosphono-D-ribitol
Formula:	C13 H26 N O13 P
SMILES:	C1(C(NC(C)=O)C(C(C(O1)CO)O)O)OC(COP(O)(O)=O)C(O)C(CO)O
InChi:	InChI=1S/C13H26NO13P/c1-5(17)14-9-12(21)11(20)7(3-16)26-13(9)27-8(4-25-28(22,23)24)10(19)6(18)2-15/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]-5-O-phosphono-D-ribitol
Definition date:	2015-08-12
Last modified:	2020-07-17
Release date:	2015-11-11
Identifier:	4-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-5-O-phosphono-D-ribitol

QPS

QPS
Name:	BETA-ACARBOSE
Formula:	C25 H43 N O18
SMILES:	O(C1C(OC(O)C(O)C1O)CO)C4OC(C(OC3OC(C)C(NC2C=C(CO)C(O)C(O)C2O)C(O)C3O)C(O)C4O)CO
InChi:	InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-/m1/s1
Synonyms:	4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranosyl-(1->4) -alpha-D-glucopyranosyl-(1->4)-beta-D-glucopyranose
Definition date:	2008-06-03
Last modified:	2020-07-17
Identifier:	4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-beta-D-glucopyranose

QW7

QW7
Name:	1-[(1R)-1-(2,6-dichloro-3-methoxyphenyl)ethyl]-6-{2-[(2R)-piperidin-2-yl]phenyl}-1H-benzimidazole
Formula:	C27 H27 Cl2 N3 O
SMILES:	CC(c1c(ccc(c1Cl)OC)Cl)n5cnc4ccc(c3c(C2NCCCC2)cccc3)cc45
InChi:	InChI=1S/C27H27Cl2N3O/c1-17(26-21(28)11-13-25(33-2)27(26)29)32-16-31-23-12-10-18(15-24(23)32)19-7-3-4-8-20(19)22-9-5-6-14-30-22/h3-4,7-8,10-13,15-17,22,30H,5-6,9,14H2,1-2H3/t17-,22-/m1/s1
Definition date:	2020-01-03
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	1-[(1R)-1-(2,6-dichloro-3-methoxyphenyl)ethyl]-6-{2-[(2R)-piperidin-2-yl]phenyl}-1H-benzimidazole

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

4GL

4GL
Name:	alpha-D-gulopyranose
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-gulose
Definition date:	2011-08-18
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	alpha-D-gulopyranose

4GP

4GP
Name:	N-(carboxycarbonyl)-beta-D-glucopyranosylamine
Formula:	C8 H13 N O8
SMILES:	O=C(NC1OC(C(O)C(O)C1O)CO)C(=O)O
InChi:	InChI=1S/C8H13NO8/c10-1-2-3(11)4(12)5(13)7(17-2)9-6(14)8(15)16/h2-5,7,10-13H,1H2,(H,9,14)(H,15,16)/t2-,3-,4+,5-,7-/m1/s1
Synonyms:	N-(BETA-D-GLUCOPYRANOSYL)OXAMIC ACID
Definition date:	2006-01-24
Last modified:	2020-07-17
Identifier:	N-(carboxycarbonyl)-beta-D-glucopyranosylamine

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

4JA

4JA
Name:	(2S)-3-[(6-deoxy-beta-D-glucopyranosyl)oxy]-2-hydroxypropyl dihydrogen phosphate
Formula:	C9 H19 O10 P
SMILES:	P(OCC(COC1OC(C(O)C(O)C1O)C)O)(=O)(O)O
InChi:	InChI=1S/C9H19O10P/c1-4-6(11)7(12)8(13)9(19-4)17-2-5(10)3-18-20(14,15)16/h4-13H,2-3H2,1H3,(H2,14,15,16)/t4-,5+,6-,7+,8-,9-/m1/s1
Synonyms:	(2S)-3-[(6-deoxy-beta-D-glucosyl)oxy]-2-hydroxypropyl dihydrogen phosphate
Definition date:	2015-11-23
Last modified:	2020-07-17
Release date:	2016-08-31
Identifier:	(2S)-3-[(6-deoxy-beta-D-glucopyranosyl)oxy]-2-hydroxypropyl dihydrogen phosphate

K99

K99
Name:	(2R,3R,4R,5R,6S)-2,3-bis(fluoranyl)-4,5-bis(oxidanyl)-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid
Formula:	C9 H14 F2 O8
SMILES:	OC[CH](O)[CH](O)[CH]1O[C](F)([CH](F)[CH](O)[CH]1O)C(O)=O
InChi:	InChI=1S/C9H14F2O8/c10-7-5(16)4(15)6(3(14)2(13)1-12)19-9(7,11)8(17)18/h2-7,12-16H,1H2,(H,17,18)/t2-,3-,4-,5-,6+,7-,9-/m1/s1
Synonyms:	(2R,3R,4R,5R,6S)-2,3-DIFLUORO-4,5-DIHYDROXY-6-[(1R,2R)-1,2,3-TRIHYDROXYPROPYL]OXANE-2-CARBOXYLIC ACID
Definition date:	2010-11-26
Last modified:	2020-07-17
Identifier:	(2R,3R,4R,5R,6S)-2,3-difluoro-4,5-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

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

KBG

KBG
Name:	beta-D-arabino-hexopyranos-2-ulose
Formula:	C6 H10 O6
SMILES:	O=C1C(O)OC(CO)C(O)C1O
InChi:	InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-4,6-9,11H,1H2/t2-,3-,4+,6-/m1/s1
Synonyms:	2-KETO-BETA-D-GLUCOSE
Definition date:	2006-01-09
Last modified:	2020-07-17
Identifier:	beta-D-arabino-hexopyranos-2-ulose

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

KDA

KDA
Name:	prop-2-en-1-yl 3-deoxy-alpha-D-manno-oct-2-ulopyranosidonic acid
Formula:	C11 H18 O8
SMILES:	O=C(O)C1(OCC=C)OC(C(O)CO)C(O)C(O)C1
InChi:	InChI=1S/C11H18O8/c1-2-3-18-11(10(16)17)4-6(13)8(15)9(19-11)7(14)5-12/h2,6-9,12-15H,1,3-5H2,(H,16,17)/t6-,7-,8-,9-,11-/m1/s1
Synonyms:	(3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID)-2-O-ALLYL
Definition date:	2003-09-15
Last modified:	2020-07-17
Identifier:	prop-2-en-1-yl 3-deoxy-alpha-D-manno-oct-2-ulopyranosidonic 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

KDD

KDD
Name:	2,6-anhydro-3,5-dideoxy-D-ribo-oct-2-enonic acid
Formula:	C8 H12 O6
SMILES:	OC[CH](O)[CH]1C[CH](O)C=C(O1)C(O)=O
InChi:	InChI=1S/C8H12O6/c9-3-5(11)6-1-4(10)2-7(14-6)8(12)13/h2,4-6,9-11H,1,3H2,(H,12,13)/t4-,5-,6+/m1/s1
Synonyms:	5-deoxy-4-epi-2,3-dehydro-alpha-D-manno-oct-2-ulosonic acid
Definition date:	2008-01-11
Last modified:	2020-07-17
Identifier:	(2~{S})-2-[(1~{R})-1,2-bis(oxidanyl)ethyl]-4-oxidanyl-3,4-dihydro-2~{H}-pyran-6-carboxylic acid

KDE

KDE
Name:	prop-2-en-1-yl 3-deoxy-beta-L-gulo-oct-2-ulopyranosidonic acid
Formula:	C11 H18 O8
SMILES:	O=C(O)C1(OCC=C)OC(C(O)CO)C(O)C(O)C1
InChi:	InChI=1S/C11H18O8/c1-2-3-18-11(10(16)17)4-6(13)8(15)9(19-11)7(14)5-12/h2,6-9,12-15H,1,3-5H2,(H,16,17)/t6-,7+,8-,9-,11-/m1/s1
Synonyms:	ALPHA-7-EPI-(3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID)-2-O-ALLYL
Definition date:	2008-01-18
Last modified:	2020-07-17
Identifier:	prop-2-en-1-yl 3-deoxy-beta-L-gulo-oct-2-ulopyranosidonic acid

KDF

KDF
Name:	3-deoxy-alpha-D-erythro-hex-2-ulofuranosonic acid
Formula:	C6 H10 O6
SMILES:	O=C(O)C1(O)OC(CO)C(O)C1
InChi:	InChI=1S/C6H10O6/c7-2-4-3(8)1-6(11,12-4)5(9)10/h3-4,7-8,11H,1-2H2,(H,9,10)/t3-,4+,6+/m0/s1
Synonyms:	2-keto-3-deoxygluconate
Definition date:	2007-09-04
Last modified:	2020-07-17
Identifier:	3-deoxy-alpha-D-erythro-hex-2-ulofuranosonic 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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