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N9S

N9S
Name:	4-O-alpha-D-Glucopyranosyl-beta-D-glucopyranose
Formula:	C12 H22 O11
SMILES:	O(C1C(OC(O)C(O)C1O)CO)C2OC(C(O)C(O)C2O)CO
InChi:	InChI=1S/C12H22O11/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
Synonyms:	Beta-Maltose
Definition date:	2014-01-21
Last modified:	2020-07-17
Release date:	2014-05-21
Identifier:	4-O-alpha-D-glucopyranosyl-beta-D-glucopyranose

NA1

NA1
Name:	2-acetamido-2-deoxy-6-O-methyl-alpha-D-allopyranose
Formula:	C9 H17 N O6
SMILES:	O=C(NC1C(O)C(O)C(OC1O)COC)C
InChi:	InChI=1S/C9H17NO6/c1-4(11)10-6-8(13)7(12)5(3-15-2)16-9(6)14/h5-9,12-14H,3H2,1-2H3,(H,10,11)/t5-,6-,7-,8+,9?/m1/s1
Synonyms:	METHYL N-ACETYL ALLOSAMINE
Definition date:	2003-03-10
Last modified:	2020-07-17
Identifier:	2-(acetylamino)-2-deoxy-6-O-methyl-alpha-D-allopyranose

NAA

NAA
Name:	2-acetamido-2-deoxy-beta-D-allopyranose
Formula:	C8 H15 N O6
SMILES:	O=C(NC1C(O)C(O)C(OC1O)CO)C
InChi:	InChI=1S/C8H15NO6/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:	N-acetyl-beta-D-allosamine
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	2-(acetylamino)-2-deoxy-beta-D-allopyranose

2GL

2GL
Name:	4-O-acetyl-2,6-dideoxy-beta-D-galactopyranose
Formula:	C8 H14 O5
SMILES:	O=C(OC1C(OC(O)CC1O)C)C
InChi:	InChI=1S/C8H14O5/c1-4-8(13-5(2)9)6(10)3-7(11)12-4/h4,6-8,10-11H,3H2,1-2H3/t4-,6-,7-,8+/m1/s1
Synonyms:	4-O-ACETYL-2,6-DIDEOXY-ALPHA-D-GALACTO-HEXOPYRANOSE
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	4-O-acetyl-2,6-dideoxy-beta-D-lyxo-hexopyranose

2GS

2GS
Name:	2-O-methyl-alpha-D-galactopyranose
Formula:	C7 H14 O6
SMILES:	O(C)C1C(O)C(O)C(OC1O)CO
InChi:	InChI=1S/C7H14O6/c1-12-6-5(10)4(9)3(2-8)13-7(6)11/h3-11H,2H2,1H3/t3-,4+,5+,6-,7+/m1/s1
Synonyms:	2-O-methyl-alpha-D-galactose
Definition date:	2006-09-26
Last modified:	2020-07-17
Identifier:	2-O-methyl-alpha-D-galactopyranose

2H5

2H5
Name:	3-deoxy-3-fluoro-beta-D-galactopyranose
Formula:	C6 H11 F O5
SMILES:	FC1C(O)C(OC(O)C1O)CO
InChi:	InChI=1S/C6H11FO5/c7-3-4(9)2(1-8)12-6(11)5(3)10/h2-6,8-11H,1H2/t2-,3+,4+,5-,6-/m1/s1
Synonyms:	3-deoxy-3-fluoro-beta-D-galactose
Definition date:	2013-10-18
Last modified:	2020-07-17
Release date:	2014-02-05
Identifier:	3-deoxy-3-fluoro-beta-D-galactopyranose

2M4

2M4
Name:	2-O-alpha-D-mannopyranosyl-alpha-D-mannopyranose
Formula:	C12 H22 O11
SMILES:	O(C1C(O)OC(CO)C(O)C1O)C2OC(C(O)C(O)C2O)CO
InChi:	InChI=1S/C12H22O11/c13-1-3-6(16)8(18)10(11(20)21-3)23-12-9(19)7(17)5(15)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9+,10+,11+,12-/m1/s1
Definition date:	2010-08-16
Last modified:	2020-07-17
Identifier:	2-O-alpha-D-mannopyranosyl-alpha-D-mannopyranose

2M5

2M5
Name:	methyl 7-deoxy-L-glycero-alpha-D-manno-heptopyranoside
Formula:	C8 H16 O6
SMILES:	OC1C(O)C(O)C(OC1OC)C(O)C
InChi:	InChI=1S/C8H16O6/c1-3(9)7-5(11)4(10)6(12)8(13-2)14-7/h3-12H,1-2H3/t3-,4-,5-,6-,7+,8-/m0/s1
Synonyms:	methyl 7-deoxy-L-glycero-alpha-D-manno-heptoside
Definition date:	2010-08-16
Last modified:	2020-07-17
Identifier:	methyl 7-deoxy-L-glycero-alpha-D-manno-heptopyranoside

2M8

2M8
Name:	(2R)-3-hydroxy-2-(alpha-D-mannopyranosyloxy)propanoic acid
Formula:	C9 H16 O9
SMILES:	O=C(O)C(OC1OC(C(O)C(O)C1O)CO)CO
InChi:	InChI=1S/C9H16O9/c10-1-3-5(12)6(13)7(14)9(17-3)18-4(2-11)8(15)16/h3-7,9-14H,1-2H2,(H,15,16)/t3-,4-,5-,6+,7+,9-/m1/s1
Synonyms:	2-O-ALPHA-MANNOSYL-D-GLYCERATE
Definition date:	2011-07-14
Last modified:	2020-07-17
Identifier:	(2R)-3-hydroxy-2-(alpha-D-mannopyranosyloxy)propanoic acid

2OS

2OS
Name:	3-N-OCTANOYLSUCROSE
Formula:	C20 H36 O12
SMILES:	O=C(OC1C(O)C(OC(CO)C1O)OC2(OC(C(O)C2O)CO)CO)CCCCCCC
InChi:	InChI=1S/C20H36O12/c1-2-3-4-5-6-7-13(24)30-17-14(25)11(8-21)29-19(16(17)27)32-20(10-23)18(28)15(26)12(9-22)31-20/h11-12,14-19,21-23,25-28H,2-10H2,1H3/t11-,12-,14-,15-,16-,17+,18+,19-,20+/m1/s1
Synonyms:	3'-O-N-OCTANOYL-A-D-GLUCOPYRANOSYL-B-D-FRUCTOFURANOSIDE
Definition date:	2004-05-02
Last modified:	2020-07-17
Identifier:	beta-D-fructofuranosyl 3-O-octanoyl-alpha-D-glucopyranoside

2WP

2WP
Name:	S-ribosylhomocysteine
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:	(2S)-2-amino-4-({[(2S,3S,4R,5S)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid
Definition date:	2014-03-13
Last modified:	2020-07-17
Release date:	2014-03-26
Identifier:	(2S)-2-amino-4-({[(2S,3S,4R,5S)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid (non-preferred name)

2WS

2WS
Name:	beta-D-xylopyranosyl-(1->4)-beta-D-xylopyranosyl-(1->4)-beta-D-xylopyranose
Formula:	C15 H26 O13
SMILES:	O(C1COC(O)C(O)C1O)C3OCC(OC2OCC(O)C(O)C2O)C(O)C3O
InChi:	InChI=1S/C15H26O13/c16-4-1-25-14(11(21)7(4)17)28-6-3-26-15(12(22)9(6)19)27-5-2-24-13(23)10(20)8(5)18/h4-23H,1-3H2/t4-,5-,6-,7+,8+,9+,10-,11-,12-,13-,14+,15+/m1/s1
Definition date:	2014-03-19
Last modified:	2020-07-17
Release date:	2014-05-07
Identifier:	beta-D-xylopyranosyl-(1->4)-beta-D-xylopyranosyl-(1->4)-beta-D-xylopyranose

32O

32O
Name:	beta-L-ribofuranose
Formula:	C5 H10 O5
SMILES:	OC1C(OC(O)C1O)CO
InChi:	InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4-,5-/m0/s1
Synonyms:	beta-L-ribose
Definition date:	2014-05-29
Last modified:	2020-07-17
Release date:	2014-09-03
Identifier:	beta-L-ribofuranose

34V

34V
Name:	beta-L-ribulofuranose
Formula:	C5 H10 O5
SMILES:	OCC1(O)OCC(O)C1O
InChi:	InChI=1S/C5H10O5/c6-2-5(9)4(8)3(7)1-10-5/h3-4,6-9H,1-2H2/t3-,4-,5-/m0/s1
Synonyms:	beta-L-ribulose
Definition date:	2014-06-17
Last modified:	2020-07-17
Release date:	2014-09-03
Identifier:	beta-L-ribulofuranose

38J

38J
Name:	alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-beta-D-glucopyranose
Formula:	C18 H32 O16
SMILES:	O(C1C(OC(O)C(O)C1O)CO)C3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)CO
InChi:	InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16?,17-,18-/m1/s1
Synonyms:	beta-MALTOTRIOSE
Definition date:	2014-07-07
Last modified:	2020-07-17
Release date:	2014-07-16
Identifier:	alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-beta-D-glucopyranose

6C7

6C7
Name:	S-(3-methylbut-2-en-1-yl) trihydrogen thiodiphosphate
Formula:	C5 H12 O6 P2 S
SMILES:	OP(O)(OP(O)(SCC=C(C)C)=O)=O
InChi:	InChI=1S/C5H12O6P2S/c1-5(2)3-4-14-13(9,10)11-12(6,7)8/h3H,4H2,1-2H3,(H,9,10)(H2,6,7,8)
Synonyms:	DMASPP
Definition date:	2016-03-09
Last modified:	2020-07-15
Release date:	2016-05-11
Identifier:	S-(3-methylbut-2-en-1-yl) trihydrogen thiodiphosphate

DST

DST
Name:	DIMETHYLALLYL S-THIOLODIPHOSPHATE
Formula:	C5 H12 O6 P2 S
SMILES:	OP(O)(=O)OP(O)(=O)SCC=C(C)C
InChi:	InChI=1S/C5H12O6P2S/c1-5(2)3-4-14-13(9,10)11-12(6,7)8/h3H,4H2,1-2H3,(H,9,10)(H2,6,7,8)
Synonyms:	DMASPP
Definition date:	2003-12-16
Last modified:	2020-07-15
Identifier:	S-(3-methylbut-2-en-1-yl) trihydrogen thiodiphosphate

P0B

P0B
Name:	6-[[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]methyl]-1~{H}-pyrimidine-2,4-dione
Formula:	C13 H13 Cl F N3 O2
SMILES:	CN(CC1=CC(=O)NC(=O)N1)Cc2c(F)cccc2Cl
InChi:	InChI=1S/C13H13ClFN3O2/c1-18(6-8-5-12(19)17-13(20)16-8)7-9-10(14)3-2-4-11(9)15/h2-5H,6-7H2,1H3,(H2,16,17,19,20)
Definition date:	2020-04-14
Last modified:	2020-07-10
Release date:	2020-07-15
Identifier:	6-[[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]methyl]-1~{H}-pyrimidine-2,4-dione

TUY

TUY
Name:	(3S,5S,9R,20R,21R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,20, 21-pentahydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphadocosan-22-oic acid 3,5-dioxide (non-preferred name)
Formula:	C25 H40 N7 O21 P3 S
SMILES:	O(P(=O)(O)OCC1C(OP(=O)(O)O)C(O)C(O1)n3cnc2c3ncnc2N)P(OCC(C(C(NCCC(=O)NCCSC(=O)C(C(C(O)=O)O)O)=O)O)(C)C)(O)=O
InChi:	InChI=1S/C25H40N7O21P3S/c1-25(2,18(37)21(38)28-4-3-12(33)27-5-6-57-24(41)15(35)14(34)23(39)40)8-50-56(47,48)53-55(45,46)49-7-11-17(52-54(42,43)44)16(36)22(51-11)32-10-31-13-19(26)29-9-30-20(13)32/h9-11,14-18,22,34-37H,3-8H2,1-2H3,(H,27,33)(H,28,38)(H,39,40)(H,45,46)(H,47,48)(H2,26,29,30)(H2,42,43,44)/t11-,14-,15-,16-,17-,18+,22-/m1/s1
Synonyms:	Tartryl-CoA
Definition date:	2020-04-01
Last modified:	2020-07-10
Release date:	2020-07-15
Identifier:	(3S,5S,9R,20R,21R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,20,21-pentahydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphadocosan-22-oic acid 3,5-dioxide (non-preferred name)

P0N

P0N
Name:	(2~{R})-2-(2-chlorophenyl)-5,5-dimethyl-morpholine
Formula:	C12 H16 Cl N O
SMILES:	CC1(C)CO[CH](CN1)c2ccccc2Cl
InChi:	InChI=1S/C12H16ClNO/c1-12(2)8-15-11(7-14-12)9-5-3-4-6-10(9)13/h3-6,11,14H,7-8H2,1-2H3/t11-/m0/s1
Definition date:	2020-04-14
Last modified:	2020-07-10
Release date:	2020-07-15
Identifier:	(2~{R})-2-(2-chlorophenyl)-5,5-dimethyl-morpholine

P0Q

P0Q
Name:	(2~{R},3~{R})-2-(3-chlorophenyl)-3,5,5-trimethyl-morpholine
Formula:	C13 H18 Cl N O
SMILES:	C[CH]1NC(C)(C)CO[CH]1c2cccc(Cl)c2
InChi:	InChI=1S/C13H18ClNO/c1-9-12(16-8-13(2,3)15-9)10-5-4-6-11(14)7-10/h4-7,9,12,15H,8H2,1-3H3/t9-,12+/m1/s1
Definition date:	2020-04-14
Last modified:	2020-07-10
Release date:	2020-07-15
Identifier:	(2~{R},3~{R})-2-(3-chlorophenyl)-3,5,5-trimethyl-morpholine

P0W

P0W
Name:	6-[[methyl-[(1-phenylpyrazol-3-yl)methyl]amino]methyl]-1~{H}-pyrimidine-2,4-dione
Formula:	C16 H17 N5 O2
SMILES:	CN(CC1=CC(=O)NC(=O)N1)Cc2ccn(n2)c3ccccc3
InChi:	InChI=1S/C16H17N5O2/c1-20(11-13-9-15(22)18-16(23)17-13)10-12-7-8-21(19-12)14-5-3-2-4-6-14/h2-9H,10-11H2,1H3,(H2,17,18,22,23)
Definition date:	2020-04-14
Last modified:	2020-07-10
Release date:	2020-07-15
Identifier:	6-[[methyl-[(1-phenylpyrazol-3-yl)methyl]amino]methyl]-1~{H}-pyrimidine-2,4-dione

P0Z

P0Z
Name:	3-[(2~{R})-5,5-dimethyl-2-phenyl-morpholin-4-yl]-~{N}-(methylcarbamoyl)propanamide
Formula:	C17 H25 N3 O3
SMILES:	CNC(=O)NC(=O)CCN1C[CH](OCC1(C)C)c2ccccc2
InChi:	InChI=1S/C17H25N3O3/c1-17(2)12-23-14(13-7-5-4-6-8-13)11-20(17)10-9-15(21)19-16(22)18-3/h4-8,14H,9-12H2,1-3H3,(H2,18,19,21,22)/t14-/m0/s1
Definition date:	2020-04-14
Last modified:	2020-07-10
Release date:	2020-07-15
Identifier:	3-[(2~{R})-5,5-dimethyl-2-phenyl-morpholin-4-yl]-~{N}-(methylcarbamoyl)propanamide

P1Q

P1Q
Name:	1-[(2~{R},5~{S})-2-(3-chlorophenyl)-5-methyl-morpholin-4-yl]-3-methoxy-propan-2-ol
Formula:	C15 H22 Cl N O3
SMILES:	COCC(O)CN1C[CH](OC[CH]1C)c2cccc(Cl)c2
InChi:	InChI=1S/C15H22ClNO3/c1-11-9-20-15(12-4-3-5-13(16)6-12)8-17(11)7-14(18)10-19-2/h3-6,11,14-15,18H,7-10H2,1-2H3/t11-,14?,15-/m0/s1
Definition date:	2020-04-14
Last modified:	2020-07-10
Release date:	2020-07-15
Identifier:	1-[(2~{R},5~{S})-2-(3-chlorophenyl)-5-methyl-morpholin-4-yl]-3-methoxy-propan-2-ol

P5H

P5H
Name:	6-methyl-~{N}-[2-(methylsulfonylamino)ethyl]-2-oxidanylidene-3~{H}-pyridine-3-carboxamide
Formula:	C10 H15 N3 O4 S
SMILES:	CC1=NC(=O)[CH](C=C1)C(=O)NCCN[S](C)(=O)=O
InChi:	InChI=1S/C10H15N3O4S/c1-7-3-4-8(10(15)13-7)9(14)11-5-6-12-18(2,16)17/h3-4,8,12H,5-6H2,1-2H3,(H,11,14)/t8-/m0/s1
Definition date:	2020-04-15
Last modified:	2020-07-10
Release date:	2020-07-15
Identifier:	6-methyl-~{N}-[2-(methylsulfonylamino)ethyl]-2-oxidanylidene-3~{H}-pyridine-3-carboxamide

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