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T68

T68
Name:	N-[(pyridin-2-ylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine
Formula:	C13 H17 N3 O7
SMILES:	O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)c2ncccc2
InChi:	InChI=1S/C13H17N3O7/c17-5-7-8(18)9(19)10(20)12(23-7)16-13(22)15-11(21)6-3-1-2-4-14-6/h1-4,7-10,12,17-20H,5H2,(H2,15,16,21,22)/t7-,8-,9+,10-,12-/m1/s1
Synonyms:	N-[(pyridin-2-ylcarbonyl)carbamoyl]-beta-D-glucosylamine
Definition date:	2012-11-22
Last modified:	2020-07-17
Release date:	2013-12-11
Identifier:	N-[(pyridin-2-ylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine

T6D

T6D
Name:	alpha-D-glucopyranosyl 6-O-decanoyl-alpha-D-glucopyranoside
Formula:	C22 H40 O12
SMILES:	C1(C(C(O)C(C(O1)COC(CCCCCCCCC)=O)O)O)OC2C(C(C(C(CO)O2)O)O)O
InChi:	InChI=1S/C22H40O12/c1-2-3-4-5-6-7-8-9-14(24)31-11-13-16(26)18(28)20(30)22(33-13)34-21-19(29)17(27)15(25)12(10-23)32-21/h12-13,15-23,25-30H,2-11H2,1H3/t12-,13-,15-,16-,17+,18+,19-,20-,21-,22-/m1/s1
Synonyms:	trehalose 6-decanoate
Definition date:	2018-10-02
Last modified:	2020-07-17
Release date:	2019-09-18
Identifier:	alpha-D-glucopyranosyl 6-O-decanoyl-alpha-D-glucopyranoside

T6P

T6P
Name:	Trehalose-6-phosphate
Formula:	C12 H23 O14 P
SMILES:	O=P(O)(O)OCC2OC(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)C2O
InChi:	InChI=1S/C12H23O14P/c13-1-3-5(14)7(16)9(18)11(24-3)26-12-10(19)8(17)6(15)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1
Synonyms:	6-O-phosphono-alpha-D-glucopyranosyl alpha-D-glucopyranoside
Definition date:	1999-08-20
Last modified:	2020-07-17
Identifier:	6-O-phosphono-alpha-D-glucopyranosyl alpha-D-glucopyranoside

4NN

4NN
Name:	N-[(5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-oxo-5,6-dihydro-2H-pyran-3-yl]acetamide
Formula:	C8 H11 N O5
SMILES:	O=C1OC(CO)C(O)C=C1NC(=O)C
InChi:	InChI=1S/C8H11NO5/c1-4(11)9-5-2-6(12)7(3-10)14-8(5)13/h2,6-7,10,12H,3H2,1H3,(H,9,11)/t6-,7+/m0/s1
Definition date:	2011-06-08
Last modified:	2020-07-17
Identifier:	N-[(5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-oxo-5,6-dihydro-2H-pyran-3-yl]acetamide (non-preferred name)

TA6

TA6
Name:	6-O-phosphono-beta-D-tagatofuranose
Formula:	C6 H13 O9 P
SMILES:	O=P(O)(O)OCC1OC(O)(CO)C(O)C1O
InChi:	InChI=1S/C6H13O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4+,5+,6-/m1/s1
Synonyms:	6-O-phosphono-beta-D-tagatose
Definition date:	2006-03-24
Last modified:	2020-07-17
Identifier:	6-O-phosphono-beta-D-tagatofuranose

4QY

4QY
Name:	2-acetamido-2-deoxy-6-O-phosphono-beta-D-glucopyranose
Formula:	C8 H16 N O9 P
SMILES:	C1(NC(C)=O)C(OC(C(C1O)O)COP(=O)(O)O)O
InChi:	InChI=1S/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)/t4-,5-,6-,7-,8-/m1/s1
Synonyms:	beta-N-acetylglucosamine-6-phosphate
Definition date:	2015-05-13
Last modified:	2020-07-17
Release date:	2016-06-08
Identifier:	2-(acetylamino)-2-deoxy-6-O-phosphono-beta-D-glucopyranose

4R1

4R1
Name:	2-amino-2-deoxy-6-O-phosphono-beta-D-glucopyranose
Formula:	C6 H14 N O8 P
SMILES:	C1(C(C(O)C(COP(O)(O)=O)OC1O)O)N
InChi:	InChI=1S/C6H14NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6-/m1/s1
Synonyms:	beta-glucosamine-6-phosphate
Definition date:	2015-05-13
Last modified:	2020-07-17
Release date:	2016-06-08
Identifier:	2-amino-2-deoxy-6-O-phosphono-beta-D-glucopyranose

4RS

4RS
Name:	trehalose mono-butyrate
Formula:	C16 H28 O12
SMILES:	C2(OC1C(C(O)C(O)C(COC(=O)CCC)O1)O)C(O)C(C(C(O2)CO)O)O
InChi:	InChI=1S/C16H28O12/c1-2-3-8(18)25-5-7-10(20)12(22)14(24)16(27-7)28-15-13(23)11(21)9(19)6(4-17)26-15/h6-7,9-17,19-24H,2-5H2,1H3/t6-,7-,9-,10-,11+,12+,13-,14-,15-,16-/m1/s1
Synonyms:	6-O-butanoyl-alpha-D-glucopyranosyl alpha-D-glucopyranoside
Definition date:	2015-05-15
Last modified:	2020-07-17
Release date:	2016-05-25
Identifier:	6-O-butanoyl-alpha-D-glucopyranosyl alpha-D-glucopyranoside

TCB

TCB
Name:	THIOCELLOBIOSE
Formula:	C12 H22 O10 S
SMILES:	S(C1C(OC(O)C(O)C1O)CO)C2OC(C(O)C(O)C2O)CO
InChi:	InChI=1S/C12H22O10S/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12+/m1/s1
Definition date:	2001-04-16
Last modified:	2020-07-17
Identifier:	4-S-beta-D-glucopyranosyl-4-thio-beta-D-glucopyranose

TCG

TCG
Name:	2-deoxy-2-(trimethylammonio)-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-(acety lamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranose
Formula:	C33 H59 N4 O20
SMILES:	O=C(NC4C(O)C(OC3OC(CO)C(OC2OC(C(OC1OC(C(O)C(O)C1[N+](C)(C)C)CO)C(O)C2NC(=O)C)CO)C(O)C3NC(=O)C)C(OC4O)CO)C
InChi:	InChI=1S/C33H58N4O20/c1-11(42)34-18-23(46)27(15(8-39)51-30(18)50)55-31-19(35-12(2)43)24(47)28(16(9-40)53-31)56-32-20(36-13(3)44)25(48)29(17(10-41)54-32)57-33-21(37(4,5)6)26(49)22(45)14(7-38)52-33/h14-33,38-41,45-50H,7-10H2,1-6H3,(H2-,34,35,36,42,43,44)/p+1/t14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31+,32+,33+/m1/s1
Synonyms:	TMG-chitotriomycin
Definition date:	2012-06-14
Last modified:	2020-07-17
Release date:	2013-01-11
Identifier:	2-deoxy-2-(trimethylammonio)-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranose

TDG

TDG
Name:	THIODIGALACTOSIDE
Formula:	C12 H22 O10 S
SMILES:	O2C(SC1OC(C(O)C(O)C1O)CO)C(O)C(O)C(O)C2CO
InChi:	InChI=1S/C12H22O10S/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11+,12+/m1/s1
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	beta-D-galactopyranosyl 1-thio-beta-D-galactopyranoside

TEU

TEU
Name:	1-O-alpha-D-glucopyranosyl-D-fructose
Formula:	C12 H22 O11
SMILES:	O=C(COC1OC(C(O)C(O)C1O)CO)C(O)C(O)C(O)CO
InChi:	InChI=1S/C12H22O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h4,6-15,17-21H,1-3H2/t4-,6-,7-,8-,9-,10+,11-,12+/m1/s1
Synonyms:	1-O-alpha-D-glucosyl-D-fructose
Definition date:	2012-10-04
Last modified:	2020-07-17
Release date:	2013-09-25
Identifier:	1-O-alpha-D-glucopyranosyl-D-fructose

TF0

TF0
Name:	2-(acetylamino)-2-deoxy-3-O-beta-D-galactopyranosyl-alpha-D-galactopyranose
Formula:	C14 H25 N O11
SMILES:	C2(O)C(OC1C(NC(C)=O)C(OC(C1O)CO)O)OC(CO)C(C2O)O
InChi:	InChI=1S/C14H25NO11/c1-4(18)15-7-12(9(20)6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8+,9+,10+,11-,12-,13+,14+/m1/s1
Synonyms:	TF antigen
Definition date:	2017-08-17
Last modified:	2020-07-17
Release date:	2018-02-28
Identifier:	2-(acetylamino)-2-deoxy-3-O-beta-D-galactopyranosyl-alpha-D-galactopyranose

TGA

TGA
Name:	2-sulfanylethyl beta-D-galactopyranoside
Formula:	C8 H16 O6 S
SMILES:	OC[CH]1O[CH](OCCS)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C8H16O6S/c9-3-4-5(10)6(11)7(12)8(14-4)13-1-2-15/h4-12,15H,1-3H2/t4-,5+,6+,7-,8-/m1/s1
Synonyms:	METHANETHIOSULFONYL-GALACTOSIDE
Definition date:	2011-01-19
Last modified:	2020-07-17
Identifier:	(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(2-sulfanylethoxy)oxane-3,4,5-triol

TH1

TH1
Name:	(1R)-1,5-anhydro-1-(5-methyl-1,3-benzothiazol-2-yl)-D-glucitol
Formula:	C14 H17 N O5 S
SMILES:	n1c3cc(ccc3sc1C2OC(CO)C(O)C(O)C2O)C
InChi:	InChI=1S/C14H17NO5S/c1-6-2-3-9-7(4-6)15-14(21-9)13-12(19)11(18)10(17)8(5-16)20-13/h2-4,8,10-13,16-19H,5H2,1H3/t8-,10-,11+,12-,13-/m1/s1
Synonyms:	2-(BETA-D-GLUCOPYRANOSYL)-5-METHYL-BENZOTHIAZOLE
Definition date:	2004-10-05
Last modified:	2020-07-17
Identifier:	(1R)-1,5-anhydro-1-(5-methyl-1,3-benzothiazol-2-yl)-D-glucitol

BBK

BBK
Name:	2-acetamido-2-deoxy-5-thio-alpha-D-galactopyranose
Formula:	C8 H15 N O5 S
SMILES:	C1(O)C(C(O)C(C(S1)CO)O)NC(C)=O
InChi:	InChI=1S/C8H15NO5S/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8+/m1/s1
Synonyms:	2-(acetylamino)-2-deoxy-5-thio-alpha-D-galactopyranose
Definition date:	2014-04-30
Last modified:	2020-07-17
Release date:	2014-05-28
Identifier:	2-(acetylamino)-2-deoxy-5-thio-alpha-D-galactopyranose

BBV

BBV
Name:	benzyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside
Formula:	C15 H21 N O6
SMILES:	O=C(NC2C(O)C(O)C(OC2OCc1ccccc1)CO)C
InChi:	InChI=1S/C15H21NO6/c1-9(18)16-12-14(20)13(19)11(7-17)22-15(12)21-8-10-5-3-2-4-6-10/h2-6,11-15,17,19-20H,7-8H2,1H3,(H,16,18)/t11-,12-,13-,14-,15+/m1/s1
Synonyms:	benzyl 2-(acetylamino)-2-deoxy-alpha-D-glucopyranoside
Definition date:	2012-04-09
Last modified:	2020-07-17
Identifier:	benzyl 2-(acetylamino)-2-deoxy-alpha-D-glucopyranoside

BCD

BCD
Name:	BETA-CYCLODEXTRIN
Formula:	C42 H70 O35
SMILES:	O1C8C(O)C(O)C(OC7C(O)C(O)C(OC6C(O)C(O)C(OC5C(O)C(O)C(OC4C(O)C(O)C(OC3C(O)C(O)C(OC2C(OC1C(O)C2O)CO)OC3CO)OC4CO)OC5CO)OC6CO)OC7CO)OC8CO
InChi:	InChI=1S/C42H70O35/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-49)69-41(27(62)20(35)55)75-33-12(5-47)67-39(25(60)18(33)53)73-31-10(3-45)65-37(71-29)23(58)16(31)51/h8-63H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m1/s1
Synonyms:	CYCLO-HEPTA-AMYLOSE
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.2~3,6~.2~8,11~.2~13,16~.2~18,21~.2~23,26~.2~28,31~]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol (non-preferred name)

BCW

BCW
Name:	6-deoxy-alpha-L-galactopyranosyl-(1->4)-[6-deoxy-alpha-L-galactopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->3)]-2-(ace tylamino)-2-deoxy-alpha-D-glucopyranose
Formula:	C26 H45 N O19
SMILES:	C[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](CO)O[CH]2O[CH]3[CH](NC(C)=O)[CH](O)O[CH](CO)[CH]3O[CH]4O[CH](C)[CH](O)[CH](O)[CH]4O)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C26H45NO19/c1-6-12(31)15(34)18(37)24(40-6)44-20-10(5-29)42-23(39)11(27-8(3)30)21(20)45-26-22(17(36)14(33)9(4-28)43-26)46-25-19(38)16(35)13(32)7(2)41-25/h6-7,9-26,28-29,31-39H,4-5H2,1-3H3,(H,27,30)/t6-,7-,9+,10+,11+,12+,13+,14-,15+,16+,17-,18-,19-,20+,21+,22+,23-,24-,25-,26-/m0/s1
Definition date:	2010-01-26
Last modified:	2020-07-17
Identifier:	N-[(2S,3R,4R,5S,6R)-4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-oxan-3-yl]ethanamide

BDZ

BDZ
Name:	6-deoxy-alpha-L-galactopyranosyl-(1->3)-[6-deoxy-alpha-L-galactopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->4)]-2-(ace tylamino)-2-deoxy-beta-D-glucopyranose
Formula:	C26 H45 N O19
SMILES:	C[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](CO)O[CH]2O[CH]3[CH](CO)O[CH](O)[CH](NC(C)=O)[CH]3O[CH]4O[CH](C)[CH](O)[CH](O)[CH]4O)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C26H45NO19/c1-6-12(31)15(34)18(37)24(40-6)45-21-11(27-8(3)30)23(39)42-10(5-29)20(21)44-26-22(17(36)14(33)9(4-28)43-26)46-25-19(38)16(35)13(32)7(2)41-25/h6-7,9-26,28-29,31-39H,4-5H2,1-3H3,(H,27,30)/t6-,7-,9+,10+,11+,12+,13+,14-,15+,16+,17-,18-,19-,20+,21+,22+,23+,24-,25-,26-/m0/s1
Definition date:	2010-01-26
Last modified:	2020-07-17
Identifier:	N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-oxan-3-yl]ethanamide

SQ7

SQ7
Name:	3-(4-chlorophenyl)imidazole-2,4-dione
Formula:	C9 H5 Cl N2 O2
SMILES:	Clc1ccc(cc1)N2C(=O)C=NC2=O
InChi:	InChI=1S/C9H5ClN2O2/c10-6-1-3-7(4-2-6)12-8(13)5-11-9(12)14/h1-5H
Definition date:	2020-03-11
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	3-(4-chlorophenyl)imidazole-2,4-dione

SQG

SQG
Name:	2-cyano-~{N}-[4-(trifluoromethyloxy)phenyl]ethanamide
Formula:	C10 H7 F3 N2 O2
SMILES:	FC(F)(F)Oc1ccc(NC(=O)CC#N)cc1
InChi:	InChI=1S/C10H7F3N2O2/c11-10(12,13)17-8-3-1-7(2-4-8)15-9(16)5-6-14/h1-4H,5H2,(H,15,16)
Definition date:	2020-03-11
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	2-cyano-~{N}-[4-(trifluoromethyloxy)phenyl]ethanamide

SQM

SQM
Name:	4-benzamido-2-methyl-pyrazole-3-carboxamide
Formula:	C12 H12 N4 O2
SMILES:	Cn1ncc(NC(=O)c2ccccc2)c1C(N)=O
InChi:	InChI=1S/C12H12N4O2/c1-16-10(11(13)17)9(7-14-16)15-12(18)8-5-3-2-4-6-8/h2-7H,1H3,(H2,13,17)(H,15,18)
Definition date:	2020-03-11
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	4-benzamido-2-methyl-pyrazole-3-carboxamide

SQV

SQV
Name:	methyl (2~{S})-2-(4-methoxypyridin-2-yl)propanoate
Formula:	C10 H13 N O3
SMILES:	COC(=O)[CH](C)c1cc(OC)ccn1
InChi:	InChI=1S/C10H13NO3/c1-7(10(12)14-3)9-6-8(13-2)4-5-11-9/h4-7H,1-3H3/t7-/m0/s1
Definition date:	2020-03-11
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	methyl (2~{S})-2-(4-methoxypyridin-2-yl)propanoate

SQY

SQY
Name:	methyl (2~{R})-3-(4-bromophenyl)-2-pyridin-4-yl-propanoate
Formula:	C15 H14 Br N O2
SMILES:	COC(=O)[CH](Cc1ccc(Br)cc1)c2ccncc2
InChi:	InChI=1S/C15H14BrNO2/c1-19-15(18)14(12-6-8-17-9-7-12)10-11-2-4-13(16)5-3-11/h2-9,14H,10H2,1H3/t14-/m1/s1
Definition date:	2020-03-11
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	methyl (2~{R})-3-(4-bromophenyl)-2-pyridin-4-yl-propanoate

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