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MSX

MSX
Name:	methyl 1,6-dithio-alpha-D-mannopyranoside
Formula:	C7 H14 O4 S2
SMILES:	OC1C(O)C(O)C(OC1SC)CS
InChi:	InChI=1S/C7H14O4S2/c1-13-7-6(10)5(9)4(8)3(2-12)11-7/h3-10,12H,2H2,1H3/t3-,4-,5+,6+,7-/m1/s1
Synonyms:	1,6-DIDEOXY-DITHIO-METHYL-ALPHA-D-MANNOSE
Definition date:	2014-10-27
Last modified:	2020-07-17
Release date:	2015-03-25
Identifier:	methyl 1,6-dithio-alpha-D-mannopyranoside

QIF

QIF
Name:	1-deoxy-7-O-phosphono-alpha-D-gluco-hept-2-ulopyranose
Formula:	C7 H15 O9 P
SMILES:	C1(C(C(O)C(C(COP(=O)(O)O)O1)O)O)(O)C
InChi:	InChI=1S/C7H15O9P/c1-7(11)6(10)5(9)4(8)3(16-7)2-15-17(12,13)14/h3-6,8-11H,2H2,1H3,(H2,12,13,14)/t3-,4-,5+,6-,7+/m1/s1
Synonyms:	1-deoxy-7-O-phosphono-alpha-D-gluco-hept-2-ulose
Definition date:	2018-11-09
Last modified:	2020-07-17
Release date:	2019-05-01
Identifier:	1-deoxy-7-O-phosphono-alpha-D-gluco-hept-2-ulopyranose

SIZ

SIZ
Name:	2-deoxy-2-[(difluoroacetyl)amino]-beta-D-galactopyranose
Formula:	C8 H13 F2 N O6
SMILES:	OC[CH]1O[CH](O)[CH](NC(=O)C(F)F)[CH](O)[CH]1O
InChi:	InChI=1S/C8H13F2NO6/c9-6(10)7(15)11-3-5(14)4(13)2(1-12)17-8(3)16/h2-6,8,12-14,16H,1H2,(H,11,15)/t2-,3-,4+,5-,8-/m1/s1
Synonyms:	N-DIFLUOROACETYL-D-GALACTOSAMINE
Definition date:	2015-12-14
Last modified:	2020-07-17
Release date:	2016-03-30
Identifier:	2,2-bis(fluoranyl)-N-[(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide

PPC

PPC
Name:	1-O-[(R)-hydroxy(phosphonomethyl)phosphoryl]-5-O-phosphono-alpha-D-ribofuranose
Formula:	C6 H15 O13 P3
SMILES:	O=P(OC1OC(C(O)C1O)COP(=O)(O)O)(O)CP(=O)(O)O
InChi:	InChI=1S/C6H15O13P3/c7-4-3(1-17-22(14,15)16)18-6(5(4)8)19-21(12,13)2-20(9,10)11/h3-8H,1-2H2,(H,12,13)(H2,9,10,11)(H2,14,15,16)/t3-,4-,5-,6-/m1/s1
Synonyms:	5-PHOSPHORIBOSYL-1-(BETA-METHYLENE) PYROPHOSPHATE
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	1-O-[(R)-hydroxy(phosphonomethyl)phosphoryl]-5-O-phosphono-alpha-D-ribofuranose

TQY

TQY
Name:	6-O-octanoyl-alpha-D-glucopyranose
Formula:	C14 H26 O7
SMILES:	C(=O)(CCCCCCC)OCC1C(C(C(C(O1)O)O)O)O
InChi:	InChI=1S/C14H26O7/c1-2-3-4-5-6-7-10(15)20-8-9-11(16)12(17)13(18)14(19)21-9/h9,11-14,16-19H,2-8H2,1H3/t9-,11-,12+,13-,14+/m1/s1
Definition date:	2020-03-30
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	6-O-octanoyl-alpha-D-glucopyranose

RCD

RCD
Name:	gamma-cyclodextrin
Formula:	C48 H80 O40
SMILES:	OC2C(O)C1OC9OC(CO)C(OC8OC(CO)C(OC7OC(CO)C(OC6OC(CO)C(OC5OC(C(OC4OC(CO)C(OC3OC(CO)C(OC2OC1CO)C(O)C3O)C(O)C4O)C(O)C5O)CO)C(O)C6O)C(O)C7O)C(O)C8O)C(O)C9O
InChi:	InChI=1S/C48H80O40/c49-1-9-33-17(57)25(65)41(73-9)82-34-10(2-50)75-43(27(67)19(34)59)84-36-12(4-52)77-45(29(69)21(36)61)86-38-14(6-54)79-47(31(71)23(38)63)88-40-16(8-56)80-48(32(72)24(40)64)87-39-15(7-55)78-46(30(70)22(39)62)85-37-13(5-53)76-44(28(68)20(37)60)83-35-11(3-51)74-42(81-33)26(66)18(35)58/h9-72H,1-8H2/t9-,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-,43-,44-,45-,46-,47-,48-/m1/s1
Synonyms:	cyclo-octa-amylose
Definition date:	2011-02-11
Last modified:	2020-07-17
Release date:	2015-12-16
Identifier:	(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36S,38R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R,50R,51R,52R,53R,54R,55R,56R)-5,10,15,20,25,30,35,40-octakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.2~3,6~.2~8,11~.2~13,16~.2~18,21~.2~23,26~.2~28,31~.2~33,36~]hexapentacontane-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecol (non-preferred name)

OWD

OWD
Name:	{4-[(6-chloroquinoxalin-2-yl)oxy]phenyl}acetic acid
Formula:	C16 H11 Cl N2 O3
SMILES:	c2(cnc1cc(Cl)ccc1n2)Oc3ccc(CC(O)=O)cc3
InChi:	InChI=1S/C16H11ClN2O3/c17-11-3-6-13-14(8-11)18-9-15(19-13)22-12-4-1-10(2-5-12)7-16(20)21/h1-6,8-9H,7H2,(H,20,21)
Definition date:	2019-07-12
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	{4-[(6-chloroquinoxalin-2-yl)oxy]phenyl}acetic acid

0HX

0HX
Name:	pentan-3-yl 2-acetamido-2,4-dideoxy-alpha-L-threo-hex-4-enopyranosiduronic acid
Formula:	C13 H21 N O6
SMILES:	CCC(CC)O[CH]1OC(=C[CH](O)[CH]1NC(C)=O)C(O)=O
InChi:	InChI=1S/C13H21NO6/c1-4-8(5-2)19-13-11(14-7(3)15)9(16)6-10(20-13)12(17)18/h6,8-9,11,13,16H,4-5H2,1-3H3,(H,14,15)(H,17,18)/t9-,11+,13+/m0/s1
Synonyms:	pentan-3-yl 2-(acetylamino)-2,4-dideoxy-alpha-L-threo-hex-4-enopyranosiduronic acid
Definition date:	2012-01-19
Last modified:	2020-07-17
Release date:	2013-02-08
Identifier:	(2~{R},3~{R},4~{S})-3-acetamido-4-oxidanyl-2-pentan-3-yloxy-3,4-dihydro-2~{H}-pyran-6-carboxylic acid

TRE

TRE
Name:	TREHALOSE
Formula:	C12 H22 O11
SMILES:	O2C(OC1OC(C(O)C(O)C1O)CO)C(O)C(O)C(O)C2CO
InChi:	InChI=1S/C12H22O11/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
Synonyms:	ALPHA-D-GLUCOPYRANOSYL-ALPHA-D-GLUCOPYRANOSIDE
Definition date:	2000-04-19
Last modified:	2020-07-17
Identifier:	alpha-D-glucopyranosyl alpha-D-glucopyranoside

MTT

MTT
Name:	MALTOTETRAOSE
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
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranose

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

OWN

OWN
Name:	methyl 4-(cyclopropylmethyl)-1-prop-2-enoyl-2,3-dihydroquinoxaline-6-carboxylate
Formula:	C17 H20 N2 O3
SMILES:	COC(=O)c1ccc2N(CCN(CC3CC3)c2c1)C(=O)C=C
InChi:	InChI=1S/C17H20N2O3/c1-3-16(20)19-9-8-18(11-12-4-5-12)15-10-13(17(21)22-2)6-7-14(15)19/h3,6-7,10,12H,1,4-5,8-9,11H2,2H3
Definition date:	2020-04-06
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	methyl 4-(cyclopropylmethyl)-1-prop-2-enoyl-2,3-dihydroquinoxaline-6-carboxylate

Q44

Q44
Name:	N-(6-oxo-6,9-dihydro-3H-purin-2-yl)acetamide
Formula:	C7 H7 N5 O2
SMILES:	C1(N=C(NC(C)=O)Nc2c1ncn2)=O
InChi:	InChI=1S/C7H7N5O2/c1-3(13)10-7-11-5-4(6(14)12-7)8-2-9-5/h2H,1H3,(H3,8,9,10,11,12,13,14)
Definition date:	2019-09-19
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	N-(6-oxo-6,9-dihydro-3H-purin-2-yl)acetamide

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

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

OX2

OX2
Name:	(1R)-1,5-anhydro-1-(5-methyl-1,3,4-oxadiazol-2-yl)-D-glucitol
Formula:	C9 H14 N2 O6
SMILES:	OC1C(O)C(O)C(OC1CO)c2nnc(o2)C
InChi:	InChI=1S/C9H14N2O6/c1-3-10-11-9(16-3)8-7(15)6(14)5(13)4(2-12)17-8/h4-8,12-15H,2H2,1H3/t4-,5-,6+,7-,8-/m1/s1
Synonyms:	2-(BETA-D-GLUCOPYRANOSYL)-5-METHYL-1,3,4-OXADIAZOLE
Definition date:	2004-10-05
Last modified:	2020-07-17
Identifier:	(1R)-1,5-anhydro-1-(5-methyl-1,3,4-oxadiazol-2-yl)-D-glucitol

TS8

TS8
Name:	2,3,4,6-tetra-O-acetyl-1-thio-beta-D-glucopyranose
Formula:	C14 H20 O9 S
SMILES:	O=C(OCC1OC(S)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)C
InChi:	InChI=1S/C14H20O9S/c1-6(15)19-5-10-11(20-7(2)16)12(21-8(3)17)13(14(24)23-10)22-9(4)18/h10-14,24H,5H2,1-4H3/t10-,11-,12+,13-,14+/m1/s1
Synonyms:	3,4,5-TRIACETYLOXY-6-(ACETYLOXYMETHYL)OXANE-2-THIOL
Definition date:	2011-02-24
Last modified:	2020-07-17
Identifier:	2,3,4,6-tetra-O-acetyl-1-thio-beta-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

VG1

VG1
Name:	ALPHA-D-GLUCOSE-1-PHOSPHATE-6-VANADATE
Formula:	C6 H13 O12 P V
SMILES:	O=P(OC1OC(C(O)C(O)C1O)CO[V](=O)(=O)O)(O)O
InChi:	InChI=1S/C6H12O9P.H2O.2O.V/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13
Definition date:	1999-08-24
Last modified:	2020-07-17
Identifier:	hydroxy(dioxo)(1-O-phosphono-alpha-D-glucopyranosato-kappaO~6~)vanadium

TFU

TFU
Name:	methyl 1-seleno-beta-L-fucopyranoside
Formula:	C7 H14 O4 Se
SMILES:	C[Se][CH]1O[CH](C)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C7H14O4Se/c1-3-4(8)5(9)6(10)7(11-3)12-2/h3-10H,1-2H3/t3-,4+,5+,6-,7+/m0/s1
Synonyms:	(2S,3S,4R,5S,6R)-2-methyl-6-methylselanyl-oxane-3,4,5-triol
Definition date:	2015-11-12
Last modified:	2020-07-17
Release date:	2016-06-29
Identifier:	(2~{S},3~{S},4~{R},5~{S},6~{R})-2-methyl-6-methylselanyl-oxane-3,4,5-triol

OI7

OI7
Name:	1,7-di-O-phosphono-beta-D-altro-hept-2-ulofuranose
Formula:	C7 H16 O13 P2
SMILES:	O=P(O)(O)OCC(O)C1OC(O)(COP(=O)(O)O)C(O)C1O
InChi:	InChI=1S/C7H16O13P2/c8-3(1-18-21(12,13)14)5-4(9)6(10)7(11,20-5)2-19-22(15,16)17/h3-6,8-11H,1-2H2,(H2,12,13,14)(H2,15,16,17)/t3-,4-,5-,6+,7-/m1/s1
Synonyms:	1,7-di-O-phosphono-beta-D-altro-hept-2-ulose
Definition date:	2010-10-21
Last modified:	2020-07-17
Identifier:	1,7-di-O-phosphono-beta-D-altro-hept-2-ulofuranose

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

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

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

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

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