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P5Y

P5Y
Name:	N-[(1-benzyl-1H-tetrazol-5-yl)methyl]-N-{[4-(hydroxycarbamoyl)phenyl]methyl}-2-(trifluoromethyl)benzamide
Formula:	C25 H21 F3 N6 O3
SMILES:	c1(nnnn1Cc2ccccc2)CN(C(=O)c3c(cccc3)C(F)(F)F)Cc4ccc(C(=O)NO)cc4
InChi:	InChI=1S/C25H21F3N6O3/c26-25(27,28)21-9-5-4-8-20(21)24(36)33(14-18-10-12-19(13-11-18)23(35)30-37)16-22-29-31-32-34(22)15-17-6-2-1-3-7-17/h1-13,37H,14-16H2,(H,30,35)
Definition date:	2019-07-31
Last modified:	2020-07-24
Release date:	2020-07-29
Identifier:	N-[(1-benzyl-1H-tetrazol-5-yl)methyl]-N-{[4-(hydroxycarbamoyl)phenyl]methyl}-2-(trifluoromethyl)benzamide

P6D

P6D
Name:	2'-azidocytidine
Formula:	C9 H13 N6 O4
SMILES:	NC1=NC(=O)N(C=C1)[CH]2O[CH](CO)[CH](O)[CH]2N=[N+]=[NH-]
InChi:	InChI=1S/C9H13N6O4/c10-5-1-2-15(9(18)12-5)8-6(13-14-11)7(17)4(3-16)19-8/h1-2,4,6-8,11,16-17H,3H2,(H2,10,12,18)/t4-,6-,7-,8-/m1/s1
Definition date:	2019-07-31
Last modified:	2020-07-24
Release date:	2020-07-29

MKB

MKB
Name:	6-[4-(1~{H}-indol-5-ylcarbonyl)piperazin-1-yl]sulfonyl-3~{H}-1,3-benzoxazol-2-one
Formula:	C20 H18 N4 O5 S
SMILES:	O=C1Nc2ccc(cc2O1)[S](=O)(=O)N3CCN(CC3)C(=O)c4ccc5[nH]ccc5c4
InChi:	InChI=1S/C20H18N4O5S/c25-19(14-1-3-16-13(11-14)5-6-21-16)23-7-9-24(10-8-23)30(27,28)15-2-4-17-18(12-15)29-20(26)22-17/h1-6,11-12,21H,7-10H2,(H,22,26)
Definition date:	2019-10-16
Last modified:	2020-07-24
Release date:	2020-07-29
Identifier:	6-[4-(1~{H}-indol-5-ylcarbonyl)piperazin-1-yl]sulfonyl-3~{H}-1,3-benzoxazol-2-one

D9F

D9F
Name:	(3~{Z},5~{E},8~{S},9~{E},11~{E},14~{S},16~{R},17~{Z},19~{E},24~{R})-24-methyl-8,14,16-tris(oxidanyl)-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one
Formula:	C24 H34 O5
SMILES:	C[CH]1CCCC=CC=C[CH](O)C[CH](O)CC=CC=C[CH](O)CC=CC=CC(=O)O1
InChi:	InChI=1S/C24H34O5/c1-20-13-7-3-2-4-8-16-22(26)19-23(27)17-11-5-9-14-21(25)15-10-6-12-18-24(28)29-20/h2,4-6,8-12,14,16,18,20-23,25-27H,3,7,13,15,17,19H2,1H3/b4-2+,10-6+,11-5+,14-9+,16-8-,18-12-/t20-,21-,22+,23+/m1/s1
Definition date:	2019-07-24
Last modified:	2020-07-24
Release date:	2020-07-29
Identifier:	(3~{Z},5~{E},8~{S},9~{E},11~{E},14~{S},16~{R},17~{Z},19~{E},24~{R})-24-methyl-8,14,16-tris(oxidanyl)-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one

D9O

D9O
Name:	4-[[(3~{E},5~{Z},8~{S},9~{E},11~{E},14~{S},16~{R},17~{Z},19~{E},24~{R})-24-methyl-14,16-bis(oxidanyl)-2-oxidanylidene-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl]oxy]-4-oxidanylidene-butanoic acid
Formula:	C28 H38 O8
SMILES:	C[CH]1CCCC=CC=C[CH](O)C[CH](O)CC=CC=C[CH](CC=CC=CC(=O)O1)OC(=O)CCC(O)=O
InChi:	InChI=1S/C28H38O8/c1-22-13-7-3-2-4-8-14-23(29)21-24(30)15-9-5-10-16-25(36-28(34)20-19-26(31)32)17-11-6-12-18-27(33)35-22/h2,4-6,8-12,14,16,18,22-25,29-30H,3,7,13,15,17,19-21H2,1H3,(H,31,32)/b4-2+,9-5+,11-6-,14-8-,16-10+,18-12+/t22-,23+,24+,25-/m1/s1
Definition date:	2019-07-24
Last modified:	2020-07-24
Release date:	2020-07-29
Identifier:	4-[[(3~{E},5~{Z},8~{S},9~{E},11~{E},14~{S},16~{R},17~{Z},19~{E},24~{R})-24-methyl-14,16-bis(oxidanyl)-2-oxidanylidene-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl]oxy]-4-oxidanylidene-butanoic acid

DKR

DKR
Name:	N-[(4-methylphenyl)methyl]-1H-pyrrole-2-carboxamide
Formula:	C13 H14 N2 O
SMILES:	Cc1ccc(CNC(=O)c2[nH]ccc2)cc1
InChi:	InChI=1S/C13H14N2O/c1-10-4-6-11(7-5-10)9-15-13(16)12-3-2-8-14-12/h2-8,14H,9H2,1H3,(H,15,16)
Definition date:	2019-08-08
Last modified:	2020-07-24
Release date:	2020-07-29
Identifier:	~{N}-[(4-methylphenyl)methyl]-1~{H}-pyrrole-2-carboxamide

EAY

EAY
Name:	(2R,3E)-2-hydroxy-3-imino-2,3-dihydrooxepine-4-carboxylic acid
Formula:	C7 H7 N O4
SMILES:	[N@H]=C1C(C(O)=O)=CC=COC1O
InChi:	InChI=1S/C7H7NO4/c8-5-4(6(9)10)2-1-3-12-7(5)11/h1-3,7-8,11H,(H,9,10)/b8-5+/t7-/m1/s1
Definition date:	2017-12-18
Last modified:	2020-07-24
Release date:	2020-07-29
Identifier:	(2R,3E)-2-hydroxy-3-imino-2,3-dihydrooxepine-4-carboxylic acid

QV4

QV4
Name:	4,6-dideoxy-4-{[(1S,4R,5R,6S)-4-{[alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl]oxy}-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose
Formula:	C31 H53 N O23
SMILES:	O(C3C(OC(OC2C(=CC(NC1C(OC(O)C(O)C1O)C)C(O)C2O)CO)C(O)C3O)CO)C5OC(C(OC4OC(CO)C(O)C(O)C4O)C(O)C5O)CO
InChi:	InChI=1S/C31H53NO23/c1-7-13(16(39)21(44)28(48)49-7)32-9-2-8(3-33)25(18(41)14(9)37)53-30-23(46)19(42)27(11(5-35)51-30)55-31-24(47)20(43)26(12(6-36)52-31)54-29-22(45)17(40)15(38)10(4-34)50-29/h2,7,9-48H,3-6H2,1H3/t7-,9+,10-,11-,12-,13-,14+,15-,16+,17+,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28+,29-,30-,31-/m1/s1
Definition date:	2007-09-04
Last modified:	2020-07-23
Identifier:	4,6-dideoxy-4-{[(1S,4R,5R,6S)-4-{[alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl]oxy}-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose

LAG

LAG
Name:	MALTOSYL-ALPHA (1,4)-(Z,3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-PIPERIDIN-2-ONE OXIME
Formula:	C18 H32 N2 O15
SMILES:	O(C1C(O)C(O)C(=NO)NC1CO)C3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)CO
InChi:	InChI=1S/C18H32N2O15/c21-1-4-14(9(26)11(28)16(19-4)20-31)34-18-13(30)10(27)15(6(3-23)33-18)35-17-12(29)8(25)7(24)5(2-22)32-17/h4-15,17-18,21-31H,1-3H2,(H,19,20)/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,17-,18-/m1/s1
Synonyms:	MALTOSYL-ALPHA (1,4)-D-GLUCONHYDROXIMO-1,5-LACTAM
Definition date:	2004-08-05
Last modified:	2020-07-23
Identifier:	(2R,3R,4R,5S,6Z)-4,5-dihydroxy-6-(hydroxyimino)-2-(hydroxymethyl)piperidin-3-yl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside

P8E

P8E
Name:	5,7-diamino-3,5,7,9-tetradeoxy-L-glycero-alpha-L-manno-non-2-ulopyranosonic acid
Formula:	C9 H18 N2 O6
SMILES:	CC(O)C(C1OC(CC(C1N)O)(O)C(O)=O)N
InChi:	InChI=1S/C9H18N2O6/c1-3(12)5(10)7-6(11)4(13)2-9(16,17-7)8(14)15/h3-7,12-13,16H,2,10-11H2,1H3,(H,14,15)/t3-,4-,5-,6-,7-,9-/m0/s1
Definition date:	2020-06-01
Last modified:	2020-07-21
Release date:	2020-07-08
Identifier:	5,7-diamino-3,5,7,9-tetradeoxy-L-glycero-alpha-L-manno-non-2-ulopyranosonic acid

NJT

NJT
Name:	9-chloranyl-5-propyl-11~{H}-pyrido[2,3-b][1,4]benzodiazepin-6-one
Formula:	C15 H14 Cl N3 O
SMILES:	CCCN1C(=O)c2ccc(Cl)cc2Nc3ncccc13
InChi:	InChI=1S/C15H14ClN3O/c1-2-8-19-13-4-3-7-17-14(13)18-12-9-10(16)5-6-11(12)15(19)20/h3-7,9H,2,8H2,1H3,(H,17,18)
Definition date:	2019-12-02
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	9-chloranyl-5-propyl-11~{H}-pyrido[2,3-b][1,4]benzodiazepin-6-one

NL5

NL5
Name:	4-[2-(phenylsulfonyl)ethyl]-5-(propan-2-yloxymethyl)-1~{H}-1,2,3-triazole
Formula:	C14 H19 N3 O3 S
SMILES:	CC(C)OCc1[nH]nnc1CC[S](=O)(=O)c2ccccc2
InChi:	InChI=1S/C14H19N3O3S/c1-11(2)20-10-14-13(15-17-16-14)8-9-21(18,19)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,15,16,17)
Definition date:	2019-12-04
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	4-[2-(phenylsulfonyl)ethyl]-5-(propan-2-yloxymethyl)-1~{H}-1,2,3-triazole

YIO

YIO
Name:	1-thio-beta-D-galactopyranose
Formula:	C6 H12 O5 S
SMILES:	OC[CH]1O[CH](S)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C6H12O5S/c7-1-2-3(8)4(9)5(10)6(12)11-2/h2-10,12H,1H2/t2-,3+,4+,5-,6+/m1/s1
Synonyms:	(2R,3R,4S,5R,6S)-2-(HYDROXYMETHYL)-6-SULFANYL-OXANE-3,4,5-TRIOL
Definition date:	2011-05-16
Last modified:	2020-07-17
Identifier:	(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-sulfanyl-oxane-3,4,5-triol

NLC

NLC
Name:	2-(ACETYLAMINO)-2-DEOXY-4-O-BETA-D-GALACTOPYRANOSYL-ALPHA-D-GLUCOPYRANOSE
Formula:	C14 H25 N O11
SMILES:	O=C(NC2C(O)C(OC1OC(C(O)C(O)C1O)CO)C(OC2O)CO)C
InChi:	InChI=1S/C14H25NO11/c1-4(18)15-7-9(20)12(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
Definition date:	2004-07-15
Last modified:	2020-07-17
Identifier:	2-(acetylamino)-2-deoxy-4-O-beta-D-galactopyranosyl-alpha-D-glucopyranose

YX0

YX0
Name:	[(3E)-3-(1-hydroxyethylidene)-2,3-dihydroisoxazol-5-yl]methyl alpha-L-fucopyranoside
Formula:	C12 H19 N O7
SMILES:	O(CC=1ONC(=C(O)C)C=1)C2OC(C(O)C(O)C2O)C
InChi:	InChI=1S/C12H19NO7/c1-5(14)8-3-7(20-13-8)4-18-12-11(17)10(16)9(15)6(2)19-12/h3,6,9-17H,4H2,1-2H3/b8-5+/t6-,9+,10+,11-,12+/m0/s1
Synonyms:	[(3E)-3-(1-hydroxyethylidene)-2,3-dihydroisoxazol-5-yl]methyl 6-deoxy-alpha-L-galactopyranoside
Definition date:	2008-05-22
Last modified:	2020-07-17
Identifier:	[(3E)-3-(1-hydroxyethylidene)-2,3-dihydroisoxazol-5-yl]methyl 6-deoxy-alpha-L-galactopyranoside

YX1

YX1
Name:	2-deoxy-2-{[(2-hydroxy-1-methylhydrazino)carbonyl]amino}-beta-D-glucopyranose
Formula:	C8 H17 N3 O7
SMILES:	O=C(NC1C(O)C(O)C(OC1O)CO)N(NO)C
InChi:	InChI=1S/C8H17N3O7/c1-11(10-17)8(16)9-4-6(14)5(13)3(2-12)18-7(4)15/h3-7,10,12-15,17H,2H2,1H3,(H,9,16)/t3-,4-,5-,6-,7-/m1/s1
Synonyms:	2-deoxy-2-{[(2-hydroxy-1-methylhydrazino)carbonyl]amino}-beta-D-glucose
Definition date:	2008-05-29
Last modified:	2020-07-17
Identifier:	2-deoxy-2-{[(2-hydroxy-1-methylhydrazino)carbonyl]amino}-beta-D-glucopyranose

NM6

NM6
Name:	2-acetamido-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-beta-D-glucopyranose
Formula:	C11 H20 N2 O7
SMILES:	O=C(N)C(OC1C(O)C(OC(O)C1NC(=O)C)CO)C
InChi:	InChI=1S/C11H20N2O7/c1-4(10(12)17)19-9-7(13-5(2)15)11(18)20-6(3-14)8(9)16/h4,6-9,11,14,16,18H,3H2,1-2H3,(H2,12,17)(H,13,15)/t4-,6-,7-,8-,9-,11-/m1/s1
Synonyms:	(2R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]oxypropanamide
Definition date:	2013-11-19
Last modified:	2020-07-17
Release date:	2014-07-23
Identifier:	2-(acetylamino)-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-beta-D-glucopyranose

NM9

NM9
Name:	methyl 2-acetamido-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-beta-D-glucopyranoside
Formula:	C12 H22 N2 O7
SMILES:	O=C(N)C(OC1C(O)C(OC(OC)C1NC(=O)C)CO)C
InChi:	InChI=1S/C12H22N2O7/c1-5(11(13)18)20-10-8(14-6(2)16)12(19-3)21-7(4-15)9(10)17/h5,7-10,12,15,17H,4H2,1-3H3,(H2,13,18)(H,14,16)/t5-,7-,8-,9-,10-,12-/m1/s1
Synonyms:	(2R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-2-(hydroxymethyl)-6-methoxy-3-oxidanyl-oxan-4-yl]oxypropanamide
Definition date:	2013-11-19
Last modified:	2020-07-17
Release date:	2014-07-23
Identifier:	methyl 2-(acetylamino)-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-beta-D-glucopyranoside

YYB

YYB
Name:	1,5-anhydro-3-O-methyl-2,6-di-O-sulfo-D-glucitol
Formula:	C7 H14 O11 S2
SMILES:	O=S(=O)(O)OCC1OCC(OS(=O)(=O)O)C(OC)C1O
InChi:	InChI=1S/C7H14O11S2/c1-15-7-5(18-20(12,13)14)2-16-4(6(7)8)3-17-19(9,10)11/h4-8H,2-3H2,1H3,(H,9,10,11)(H,12,13,14)/t4-,5+,6-,7-/m1/s1
Definition date:	2012-12-18
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	1,5-anhydro-3-O-methyl-2,6-di-O-sulfo-D-glucitol

YYH

YYH
Name:	7-deoxy-L-glycero-alpha-D-manno-heptopyranose
Formula:	C7 H14 O6
SMILES:	OC1C(O)C(OC(O)C1O)C(O)C
InChi:	InChI=1S/C7H14O6/c1-2(8)6-4(10)3(9)5(11)7(12)13-6/h2-12H,1H3/t2-,3-,4-,5-,6+,7-/m0/s1
Definition date:	2012-12-17
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	7-deoxy-L-glycero-alpha-D-manno-heptopyranose

YYJ

YYJ
Name:	1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose
Formula:	C6 H12 O18 S4
SMILES:	O=S(=O)(O)OCC1OC(O)(COS(=O)(=O)O)C(OS(=O)(=O)O)C1OS(=O)(=O)O
InChi:	InChI=1S/C6H12O18S4/c7-6(2-21-26(11,12)13)5(24-28(17,18)19)4(23-27(14,15)16)3(22-6)1-20-25(8,9)10/h3-5,7H,1-2H2,(H,8,9,10)(H,11,12,13)(H,14,15,16)(H,17,18,19)/t3-,4-,5+,6-/m1/s1
Definition date:	2012-12-17
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose

YYK

YYK
Name:	beta-D-quinovopyranose
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-/m1/s1
Synonyms:	beta-D-quinovoose
Definition date:	2012-12-18
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	6-deoxy-beta-D-glucopyranose

YYM

YYM
Name:	alpha-D-ribopyranose
Formula:	C5 H10 O5
SMILES:	OC1C(O)COC(O)C1O
InChi:	InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4-,5+/m1/s1
Synonyms:	alpha-D-ribose
Definition date:	2012-12-17
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	alpha-D-ribopyranose

YZ0

YZ0
Name:	methyl beta-D-mannopyranoside
Formula:	C7 H14 O6
SMILES:	OC1C(O)C(O)C(OC1OC)CO
InChi:	InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6+,7-/m1/s1
Definition date:	2012-12-18
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	methyl beta-D-mannopyranoside

YKR

YKR
Name:	2-amino-4-O-benzyl-2-deoxy-alpha-D-glucopyranose
Formula:	C13 H19 N O5
SMILES:	OC2C(OCc1ccccc1)C(OC(O)C2N)CO
InChi:	InChI=1S/C13H19NO5/c14-10-11(16)12(9(6-15)19-13(10)17)18-7-8-4-2-1-3-5-8/h1-5,9-13,15-17H,6-7,14H2/t9-,10-,11-,12-,13+/m1/s1
Synonyms:	4-benzyl-alpha-D-glucosamine
Definition date:	2012-07-31
Last modified:	2020-07-17
Release date:	2013-08-07
Identifier:	2-amino-4-O-benzyl-2-deoxy-alpha-D-glucopyranose

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