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OBQ

OBQ
Name:	(3~{S})-7-azanyl-6-methoxy-3-[(5~{R})-4-methoxy-6-methyl-7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3~{H}-2-benzofuran-1-one
Formula:	C21 H22 N2 O6
SMILES:	COc1ccc2[CH](OC(=O)c2c1N)[CH]3N(C)CCc4cc5OCOc5c(OC)c34
InChi:	InChI=1S/C21H22N2O6/c1-23-7-6-10-8-13-19(28-9-27-13)20(26-3)14(10)17(23)18-11-4-5-12(25-2)16(22)15(11)21(24)29-18/h4-5,8,17-18H,6-7,9,22H2,1-3H3/t17-,18+/m1/s1
Definition date:	2020-02-26
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	(3~{S})-7-azanyl-6-methoxy-3-[(5~{R})-4-methoxy-6-methyl-7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3~{H}-2-benzofuran-1-one

50A

50A
Name:	2-deoxy-2-fluoro-5-O-phosphono-alpha-D-ribofuranose
Formula:	C5 H10 F O7 P
SMILES:	FC1C(O)C(OC1O)COP(=O)(O)O
InChi:	InChI=1S/C5H10FO7P/c6-3-4(7)2(13-5(3)8)1-12-14(9,10)11/h2-5,7-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5+/m1/s1
Synonyms:	Inhibitor CZ-50b arabinosyl-2-fluoro-2-deoxynicotinamide mononucleotide, bound form
Definition date:	2011-05-24
Last modified:	2020-07-17
Identifier:	2-deoxy-2-fluoro-5-O-phosphono-alpha-D-ribofuranose

510

510
Name:	methyl (2S,4R)-1-[(2S,3R,4R,5S,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfonyl-4-sulfamoyloxy-pyrrolidine-2-carbox ylate
Formula:	C12 H22 N2 O12 S2
SMILES:	COC(=O)[CH]1C[CH](CN1[S](=O)(=O)[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)O[S](N)(=O)=O
InChi:	InChI=1S/C12H22N2O12S2/c1-24-11(19)6-2-5(26-28(13,22)23)3-14(6)27(20,21)12-10(18)9(17)8(16)7(4-15)25-12/h5-10,12,15-18H,2-4H2,1H3,(H2,13,22,23)/t5-,6+,7+,8-,9-,10-,12+/m1/s1
Definition date:	2015-07-08
Last modified:	2020-07-17
Release date:	2015-08-05
Identifier:	methyl (2S,4R)-1-[(2S,3R,4R,5S,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfonyl-4-sulfamoyloxy-pyrrolidine-2-carbox ylate

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

OEL

OEL
Name:	(6R)-2,6-anhydro-3,4,5-trideoxy-6-[(2S)-2,3-dihydroxypropanoyl]-3-fluoro-5-[(2-methylpropanoyl)amino]-4-triaza-1,2-dien -2-ium-1-yl-L-gulonic acid
Formula:	C13 H20 F N4 O7
SMILES:	FC1C(N=[N+]=[N@H])C(NC(=O)C(C)C)C(OC1C(=O)O)C(=O)C(O)CO
InChi:	InChI=1S/C13H19FN4O7/c1-4(2)12(22)16-8-7(17-18-15)6(14)10(13(23)24)25-11(8)9(21)5(20)3-19/h4-8,10-11,15,19-20H,3H2,1-2H3,(H-,16,22,23,24)/p+1/t5-,6-,7-,8+,10-,11+/m0/s1
Definition date:	2015-01-12
Last modified:	2020-07-17
Release date:	2015-02-11
Identifier:	(6R)-2,6-anhydro-3,4,5-trideoxy-6-[(2S)-2,3-dihydroxypropanoyl]-3-fluoro-5-[(2-methylpropanoyl)amino]-4-triaza-1,2-dien -2-ium-1-yl-L-gulonic acid

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

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

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

ONN

ONN
Name:	2-[2-[[[(4~{R},8~{S},11~{S})-11-azanyl-8-[(4-hydroxyphenyl)methyl]-6,10-bis(oxidanylidene)-1,2-dithia-5,9-diazacyclotridec-4-yl]carbonylamino]methyl]phenyl]ethanoic acid
Formula:	C26 H32 N4 O6 S2
SMILES:	N[CH]1CCSSC[CH](NC(=O)C[CH](Cc2ccc(O)cc2)NC1=O)C(=O)NCc3ccccc3CC(O)=O
InChi:	InChI=1S/C26H32N4O6S2/c27-21-9-10-37-38-15-22(26(36)28-14-18-4-2-1-3-17(18)12-24(33)34)30-23(32)13-19(29-25(21)35)11-16-5-7-20(31)8-6-16/h1-8,19,21-22,31H,9-15,27H2,(H,28,36)(H,29,35)(H,30,32)(H,33,34)/t19-,21-,22-/m0/s1
Definition date:	2020-03-21
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	2-[2-[[[(4~{R},8~{S},11~{S})-11-azanyl-8-[(4-hydroxyphenyl)methyl]-6,10-bis(oxidanylidene)-1,2-dithia-5,9-diazacyclotridec-4-yl]carbonylamino]methyl]phenyl]ethanoic acid

RAE

RAE
Name:	alpha-L-Olivopyranose
Formula:	C6 H12 O4
SMILES:	OC1C(OC(O)CC1O)C
InChi:	InChI=1S/C6H12O4/c1-3-6(9)4(7)2-5(8)10-3/h3-9H,2H2,1H3/t3-,4-,5+,6-/m0/s1
Synonyms:	alpha-L-Olivose
Definition date:	2002-12-11
Last modified:	2020-07-17
Identifier:	2,6-dideoxy-alpha-L-arabino-hexopyranose

RAF

RAF
Name:	raffinose
Formula:	C18 H32 O16
SMILES:	O2C(COC1OC(CO)C(O)C(O)C1O)C(O)C(O)C(O)C2OC3(OC(C(O)C3O)CO)CO
InChi:	InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+/m1/s1
Definition date:	2008-01-28
Last modified:	2020-07-17
Identifier:	beta-D-fructofuranosyl alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranoside

RAM

RAM
Name:	alpha-L-rhamnopyranose
Formula:	C6 H12 O5
SMILES:	OC1C(O)C(OC(O)C1O)C
InChi:	InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5+,6+/m0/s1
Synonyms:	alpha-L-rhamnose
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	6-deoxy-alpha-L-mannopyranose

RAO

RAO
Name:	methyl 6-deoxy-alpha-L-rhamnopyranoside
Formula:	C7 H14 O5
SMILES:	OC1C(O)C(O)C(OC1OC)C
InChi:	InChI=1S/C7H14O5/c1-3-4(8)5(9)6(10)7(11-2)12-3/h3-10H,1-2H3/t3-,4-,5+,6+,7+/m0/s1
Synonyms:	1-O-METHYL-ALPHA-RHAMNOSE
Definition date:	2002-12-11
Last modified:	2020-07-17
Identifier:	methyl 6-deoxy-alpha-L-mannopyranoside

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)

95Z

95Z
Name:	2-amino-2-deoxy-alpha-D-mannopyranose
Formula:	C6 H13 N O5
SMILES:	N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O
InChi:	InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3+,4-,5-,6+/m1/s1
Synonyms:	alpha-D-mannosamine
Definition date:	2017-04-25
Last modified:	2020-07-17
Release date:	2017-12-27
Identifier:	(2~{S},3~{S},4~{R},5~{S},6~{R})-3-azanyl-6-(hydroxymethyl)oxane-2,4,5-triol

96O

96O
Name:	(1-methyl-1H-1,2,3-triazol-4-yl)methyl alpha-D-mannopyranoside
Formula:	C10 H17 N3 O6
SMILES:	C2(C(C(C(OCc1nnn(C)c1)OC2CO)O)O)O
InChi:	InChI=1S/C10H17N3O6/c1-13-2-5(11-12-13)4-18-10-9(17)8(16)7(15)6(3-14)19-10/h2,6-10,14-17H,3-4H2,1H3/t6-,7-,8+,9+,10+/m1/s1
Synonyms:	(1-methyl-1H-1,2,3-triazol-4-yl)methyl alpha-D-mannoside
Definition date:	2018-01-25
Last modified:	2020-07-17
Release date:	2019-04-10
Identifier:	(1-methyl-1H-1,2,3-triazol-4-yl)methyl alpha-D-mannopyranoside

RER

RER
Name:	vancosamine
Formula:	C7 H15 N O3
SMILES:	OC1OC(C(O)C(N)(C)C1)C
InChi:	InChI=1S/C7H15NO3/c1-4-6(10)7(2,8)3-5(9)11-4/h4-6,9-10H,3,8H2,1-2H3/t4-,5+,6+,7-/m0/s1
Synonyms:	(1R,3S,4S,5S)-3-amino-2,3,6-trideoxy-3-methyl-alpha-L-arabino-hexopyranose
Definition date:	2010-09-06
Last modified:	2020-07-17
Identifier:	3-amino-2,3,6-trideoxy-3-methyl-alpha-L-lyxo-hexopyranose

RF5

RF5
Name:	2-deoxy-2-fluoro-5-O-phosphono-alpha-D-arabinofuranose
Formula:	C5 H10 F O7 P
SMILES:	FC1C(O)C(OC1O)COP(=O)(O)O
InChi:	InChI=1S/C5H10FO7P/c6-3-4(7)2(13-5(3)8)1-12-14(9,10)11/h2-5,7-8H,1H2,(H2,9,10,11)/t2-,3+,4-,5+/m1/s1
Synonyms:	Inhibitor arabinosyl-2-fluoro-2-deoxynicotinamide mononucleotide, bound form
Definition date:	2008-07-30
Last modified:	2020-07-17
Identifier:	2-deoxy-2-fluoro-5-O-phosphono-alpha-D-arabinofuranose

6GB

6GB
Name:	6-O-(6-O-phosphono-beta-D-glucopyranosyl)-beta-D-glucopyranose
Formula:	C12 H23 O14 P
SMILES:	O=P(O)(O)OCC2OC(OCC1OC(O)C(O)C(O)C1O)C(O)C(O)C2O
InChi:	InChI=1S/C12H23O14P/c13-5-3(25-11(19)9(17)7(5)15)1-23-12-10(18)8(16)6(14)4(26-12)2-24-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1
Synonyms:	gentiobiose 6-phosphate
Definition date:	2012-08-24
Last modified:	2020-07-17
Release date:	2012-09-28
Identifier:	6-O-(6-O-phosphono-beta-D-glucopyranosyl)-beta-D-glucopyranose

RGG

RGG
Name:	(2R)-2,3-dihydroxypropyl beta-D-galactopyranoside
Formula:	C9 H18 O8
SMILES:	O(CC(O)CO)C1OC(C(O)C(O)C1O)CO
InChi:	InChI=1S/C9H18O8/c10-1-4(12)3-16-9-8(15)7(14)6(13)5(2-11)17-9/h4-15H,1-3H2/t4-,5-,6+,7+,8-,9-/m1/s1
Synonyms:	(2R)-glyceryl-beta-D-galactopyranoside
Definition date:	2009-02-19
Last modified:	2020-07-17
Identifier:	(2R)-2,3-dihydroxypropyl beta-D-galactopyranoside

6GP

6GP
Name:	N-[methoxy(oxo)acetyl]-beta-D-glucopyranosylamine
Formula:	C9 H15 N O8
SMILES:	O=C(NC1OC(C(O)C(O)C1O)CO)C(=O)OC
InChi:	InChI=1S/C9H15NO8/c1-17-9(16)7(15)10-8-6(14)5(13)4(12)3(2-11)18-8/h3-6,8,11-14H,2H2,1H3,(H,10,15)/t3-,4-,5+,6-,8-/m1/s1
Synonyms:	METHYL-N-(BETA-D-GLUCOPYRANOSYL)OXAMATE
Definition date:	2006-01-25
Last modified:	2020-07-17
Identifier:	N-[methoxy(oxo)acetyl]-beta-D-glucopyranosylamine

6GR

6GR
Name:	2-(alpha-L-altropyranosyloxy)benzoic acid
Formula:	C13 H16 O8
SMILES:	C2(O)C(O)C(Oc1c(C(=O)O)cccc1)OC(C2O)CO
InChi:	InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-4-2-1-3-6(7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)/t8-,9-,10-,11+,13+/m0/s1
Synonyms:	2-(alpha-L-altrosyloxy)benzoic acid
Definition date:	2016-04-07
Last modified:	2020-07-17
Release date:	2019-10-09
Identifier:	2-(alpha-L-altropyranosyloxy)benzoic acid

RHA

RHA
Name:	6-deoxy-1-O-phosphono-alpha-L-rhamnopyranose
Formula:	C6 H13 O8 P
SMILES:	O=P(OC1OC(C(O)C(O)C1O)C)(O)O
InChi:	InChI=1S/C6H13O8P/c1-2-3(7)4(8)5(9)6(13-2)14-15(10,11)12/h2-9H,1H3,(H2,10,11,12)/t2-,3-,4+,5+,6-/m0/s1
Synonyms:	6-DEOXY-MANNOSE-1'-PHOSPHATE
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	6-deoxy-1-O-phosphono-alpha-L-mannopyranose

RHC

RHC
Name:	(2S)-2-amino-4-[[(2S,3S,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid
Formula:	C9 H17 N O6 S
SMILES:	O=C(O)C(N)CCSCC1OC(O)C(O)C1O
InChi:	InChI=1S/C9H17NO6S/c10-4(8(13)14)1-2-17-3-5-6(11)7(12)9(15)16-5/h4-7,9,11-12,15H,1-3,10H2,(H,13,14)/t4-,5+,6+,7+,9+/m0/s1
Synonyms:	5-(3-AMINO-4,4-DIHYROXY-BUTYLSULFANYLMETHYL)-TETRAHYDRO-FURAN-2,3,4-TRIOL
Definition date:	2001-09-10
Last modified:	2020-07-17
Identifier:	(2S)-2-amino-4-({[(2S,3S,4R,5R)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid (non-preferred name)

6K3

6K3
Name:	heptyl 4-deoxy-4-fluoro-alpha-D-mannopyranoside
Formula:	C13 H25 F O5
SMILES:	CCCCCCCO[CH]1O[CH](CO)[CH](F)[CH](O)[CH]1O
InChi:	InChI=1S/C13H25FO5/c1-2-3-4-5-6-7-18-13-12(17)11(16)10(14)9(8-15)19-13/h9-13,15-17H,2-8H2,1H3/t9-,10-,11+,12+,13+/m1/s1
Synonyms:	4-Fluoro-Heptylmannoside
Definition date:	2016-05-27
Last modified:	2020-07-17
Release date:	2017-06-21
Identifier:	(2~{S},3~{S},4~{R},5~{S},6~{R})-5-fluoranyl-2-heptoxy-6-(hydroxymethyl)oxane-3,4-diol

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