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V1G

V1G
Name:	(1S,2S)-N-[2'-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-3'-(hydroxymethyl)-1-methyl-6-oxo[1,6-dihydro[3,4'-bipyridine]]-5-yl]-2-fluorocyclopropane-1-carboxamide
Formula:	C28 H27 F2 N5 O4
SMILES:	CC(c4cc(F)c5C(=O)N(c3c(c(C=2C=C(NC(=O)C1C(C1)F)C(=O)N(C=2)C)ccn3)CO)N=Cc5c4)(C)C
InChi:	InChI=1S/C28H27F2N5O4/c1-28(2,3)16-7-14-11-32-35(27(39)23(14)21(30)9-16)24-19(13-36)17(5-6-31-24)15-8-22(26(38)34(4)12-15)33-25(37)18-10-20(18)29/h5-9,11-12,18,20,36H,10,13H2,1-4H3,(H,33,37)/t18-,20+/m1/s1
Definition date:	2020-06-12
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	(1S,2S)-N-[2'-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-3'-(hydroxymethyl)-1-methyl-6-oxo[1,6-dihydro[3,4'-bipyridine]]-5-yl]-2-fluorocyclopropane-1-carboxamide

XDX

XDX
Name:	(2R)-2-(alpha-D-glucopyranosyloxy)-3-(phosphonooxy)propanoic acid
Formula:	C9 H17 O12 P
SMILES:	OP(O)(=O)OCC(C(O)=O)OC1C(C(C(C(O1)CO)O)O)O
InChi:	InChI=1S/C9H17O12P/c10-1-3-5(11)6(12)7(13)9(20-3)21-4(8(14)15)2-19-22(16,17)18/h3-7,9-13H,1-2H2,(H,14,15)(H2,16,17,18)/t3-,4-,5-,6+,7-,9-/m1/s1
Synonyms:	(2R)-2-(alpha-D-glucosyloxy)-3-(phosphonooxy)propanoic acid
Definition date:	2016-05-10
Last modified:	2020-07-17
Release date:	2017-05-24
Identifier:	(2R)-2-(alpha-D-glucopyranosyloxy)-3-(phosphonooxy)propanoic acid

SG5

SG5
Name:	2,3,4-tri-O-propanoyl-6-O-sulfamoyl-alpha-D-glucopyranose
Formula:	C15 H25 N O11 S
SMILES:	O=S(=O)(OCC1OC(O)C(OC(=O)CC)C(OC(=O)CC)C1OC(=O)CC)N
InChi:	InChI=1S/C15H25NO11S/c1-4-9(17)25-12-8(7-23-28(16,21)22)24-15(20)14(27-11(19)6-3)13(12)26-10(18)5-2/h8,12-15,20H,4-7H2,1-3H3,(H2,16,21,22)/t8-,12-,13+,14-,15+/m1/s1
Synonyms:	2,3,4-tri-O-propanoyl-6-O-sulfamoyl-alpha-D-glucose
Definition date:	2011-08-19
Last modified:	2020-07-17
Identifier:	2,3,4-tri-O-propanoyl-6-O-sulfamoyl-alpha-D-glucopyranose

SOJ

SOJ
Name:	~{N}4-phenylbenzene-1,4-diamine
Formula:	C12 H12 N2
SMILES:	Nc1ccc(Nc2ccccc2)cc1
InChi:	InChI=1S/C12H12N2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,14H,13H2
Definition date:	2020-03-11
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	~{N}4-phenylbenzene-1,4-diamine

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

SU7

SU7
Name:	3-oxidanylidene-3-[4-(phenylmethyl)piperidin-1-yl]propanenitrile
Formula:	C15 H18 N2 O
SMILES:	O=C(CC#N)N1CCC(CC1)Cc2ccccc2
InChi:	InChI=1S/C15H18N2O/c16-9-6-15(18)17-10-7-14(8-11-17)12-13-4-2-1-3-5-13/h1-5,14H,6-8,10-12H2
Definition date:	2020-03-11
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	3-oxidanylidene-3-[4-(phenylmethyl)piperidin-1-yl]propanenitrile

SV4

SV4
Name:	1-(3-methylpyridin-2-yl)-1,4-diazepane
Formula:	C11 H17 N3
SMILES:	Cc1cccnc1N2CCCNCC2
InChi:	InChI=1S/C11H17N3/c1-10-4-2-6-13-11(10)14-8-3-5-12-7-9-14/h2,4,6,12H,3,5,7-9H2,1H3
Definition date:	2020-03-11
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	1-(3-methylpyridin-2-yl)-1,4-diazepane

9QG

9QG
Name:	methyl 3-O-[(1R)-1-carboxyethyl]-beta-D-galactopyranoside
Formula:	C10 H18 O8
SMILES:	O(C)C1OC(CO)C(C(C1O)OC(C(O)=O)C)O
InChi:	InChI=1S/C10H18O8/c1-4(9(14)15)17-8-6(12)5(3-11)18-10(16-2)7(8)13/h4-8,10-13H,3H2,1-2H3,(H,14,15)/t4-,5-,6+,7-,8+,10-/m1/s1
Synonyms:	methyl 3-O-[(1R)-1-carboxyethyl]-beta-D-galactoside
Definition date:	2017-05-25
Last modified:	2020-07-17
Release date:	2018-05-23
Identifier:	methyl 3-O-[(1R)-1-carboxyethyl]-beta-D-galactopyranoside

9WN

9WN
Name:	(2R)-2-(alpha-D-glucopyranosyloxy)-3-hydroxypropanoic acid
Formula:	C9 H16 O9
SMILES:	OC[CH]1O[CH](O[CH](CO)C(O)=O)[CH](O)[CH](O)[CH]1O
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~{R})-2-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-propanoic acid
Definition date:	2017-07-20
Last modified:	2020-07-17
Release date:	2018-08-08
Identifier:	(2~{R})-2-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-propanoic acid

A0K

A0K
Name:	1,3-dihydroxypropan-2-yl alpha-D-glucopyranoside
Formula:	C9 H18 O8
SMILES:	OCC(CO)O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C9H18O8/c10-1-4(2-11)16-9-8(15)7(14)6(13)5(3-12)17-9/h4-15H,1-3H2/t5-,6-,7+,8-,9+/m1/s1
Synonyms:	(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[1,3-bis(oxidanyl)propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Definition date:	2017-08-08
Last modified:	2020-07-17
Release date:	2018-08-29
Identifier:	(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[1,3-bis(oxidanyl)propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol

491

491
Name:	2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-1-O-phosphono-alpha-D-glucopyranose
Formula:	C11 H20 N O11 P
SMILES:	O=C(O)C(OC1C(O)C(OC(OP(=O)(O)O)C1NC(=O)C)CO)C
InChi:	InChI=1S/C11H20NO11P/c1-4(10(16)17)21-9-7(12-5(2)14)11(23-24(18,19)20)22-6(3-13)8(9)15/h4,6-9,11,13,15H,3H2,1-2H3,(H,12,14)(H,16,17)(H2,18,19,20)/t4-,6-,7-,8-,9-,11-/m1/s1
Synonyms:	2-(acetylamino)-3-O-[(1R)-1-carboxyethyl]-2-deoxy-1-O-phosphono-alpha-D-glucopyranose
Definition date:	2015-02-16
Last modified:	2020-07-17
Release date:	2015-03-18
Identifier:	2-(acetylamino)-3-O-[(1R)-1-carboxyethyl]-2-deoxy-1-O-phosphono-alpha-D-glucopyranose

KX5

KX5
Name:	3-[3-(3,4-dichlorophenyl)-4-(2-phenylethylcarbamoyl)pyrazol-1-yl]propanoic acid
Formula:	C21 H19 Cl2 N3 O3
SMILES:	OC(=O)CCn1cc(C(=O)NCCc2ccccc2)c(n1)c3ccc(Cl)c(Cl)c3
InChi:	InChI=1S/C21H19Cl2N3O3/c22-17-7-6-15(12-18(17)23)20-16(13-26(25-20)11-9-19(27)28)21(29)24-10-8-14-4-2-1-3-5-14/h1-7,12-13H,8-11H2,(H,24,29)(H,27,28)
Definition date:	2019-07-02
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	3-[3-(3,4-dichlorophenyl)-4-(2-phenylethylcarbamoyl)pyrazol-1-yl]propanoic acid

KXE

KXE
Name:	3-[3-(3,4-dichlorophenyl)-4-[(phenylmethyl)carbamoyl]pyrazol-1-yl]propanoic acid
Formula:	C20 H17 Cl2 N3 O3
SMILES:	OC(=O)CCn1cc(C(=O)NCc2ccccc2)c(n1)c3ccc(Cl)c(Cl)c3
InChi:	InChI=1S/C20H17Cl2N3O3/c21-16-7-6-14(10-17(16)22)19-15(12-25(24-19)9-8-18(26)27)20(28)23-11-13-4-2-1-3-5-13/h1-7,10,12H,8-9,11H2,(H,23,28)(H,26,27)
Definition date:	2019-07-03
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	3-[3-(3,4-dichlorophenyl)-4-[(phenylmethyl)carbamoyl]pyrazol-1-yl]propanoic acid

K4W

K4W
Name:	4-[[[5-nitroso-2-[[(2~{R})-1-oxidanylbutan-2-yl]amino]-6-(propan-2-ylamino)pyrimidin-4-yl]amino]methyl]phenol
Formula:	C18 H26 N6 O3
SMILES:	CC[CH](CO)Nc1nc(NCc2ccc(O)cc2)c(N=O)c(NC(C)C)n1
InChi:	InChI=1S/C18H26N6O3/c1-4-13(10-25)21-18-22-16(15(24-27)17(23-18)20-11(2)3)19-9-12-5-7-14(26)8-6-12/h5-8,11,13,25-26H,4,9-10H2,1-3H3,(H3,19,20,21,22,23)/t13-/m1/s1
Definition date:	2019-04-24
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	4-[[[5-nitroso-2-[[(2~{R})-1-oxidanylbutan-2-yl]amino]-6-(propan-2-ylamino)pyrimidin-4-yl]amino]methyl]phenol

K5B

K5B
Name:	4,7-anhydro-3-deoxy-D-gluco-oct-2-ulosonic acid
Formula:	C8 H12 O7
SMILES:	OC[CH]1O[CH](CC(=O)C(O)=O)[CH](O)[CH]1O
InChi:	InChI=1S/C8H12O7/c9-2-5-7(12)6(11)4(15-5)1-3(10)8(13)14/h4-7,9,11-12H,1-2H2,(H,13,14)/t4-,5+,6+,7+/m0/s1
Synonyms:	4,7-anhydro-3-deoxy-D-manno-oct-2-ulosonic acid
Definition date:	2017-09-07
Last modified:	2020-07-17
Release date:	2018-06-20
Identifier:	3-[(2~{S},3~{S},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanylidene-propanoic acid

1S4

1S4
Name:	alpha-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:	2013-05-15
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	2-amino-3-O-[(1R)-1-carboxyethyl]-2-deoxy-alpha-D-glucopyranose

G0S

G0S
Name:	3-(beta-D-galactopyranosylthio)propanoic acid
Formula:	C9 H16 O7 S
SMILES:	O=C(O)CCSC1OC(C(O)C(O)C1O)CO
InChi:	InChI=1S/C9H16O7S/c10-3-4-6(13)7(14)8(15)9(16-4)17-2-1-5(11)12/h4,6-10,13-15H,1-3H2,(H,11,12)/t4-,6+,7+,8-,9+/m1/s1
Synonyms:	3-(beta-D-galactosylthio)propanoic acid
Definition date:	2011-08-23
Last modified:	2020-07-17
Identifier:	3-(beta-D-galactopyranosylthio)propanoic acid

I57

I57
Name:	2,6-anhydro-3,4,5-trideoxy-5-[(2-methylpropanoyl)amino]-4-(4-phenyl-1H-1,2,3-triazol-1-yl)-D-glycero-D-galacto-non-2-en onic acid
Formula:	C21 H26 N4 O7
SMILES:	CC(C)C(=O)N[CH]1[CH](OC(=C[CH]1n2cc(nn2)c3ccccc3)C(O)=O)[CH](O)[CH](O)CO
InChi:	InChI=1S/C21H26N4O7/c1-11(2)20(29)22-17-14(25-9-13(23-24-25)12-6-4-3-5-7-12)8-16(21(30)31)32-19(17)18(28)15(27)10-26/h3-9,11,14-15,17-19,26-28H,10H2,1-2H3,(H,22,29)(H,30,31)/t14-,15+,17+,18+,19+/m0/s1
Synonyms:	(2~{R},3~{R},4~{S})-3-(2-methylpropanoylamino)-4-(4-phenyl-1,2,3-triazol-1-yl)-2-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)pro pyl]-3,4-dihydro-2~{H}-pyran-6-carboxylic acid
Definition date:	2016-07-21
Last modified:	2020-07-17
Release date:	2017-07-12
Identifier:	(2~{R},3~{R},4~{S})-3-(2-methylpropanoylamino)-4-(4-phenyl-1,2,3-triazol-1-yl)-2-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)pro pyl]-3,4-dihydro-2~{H}-pyran-6-carboxylic acid

LAH

LAH
Name:	2-O-[(R)-hydroxy(propan-2-yloxy)phosphoryl]-alpha-L-arabinopyranose
Formula:	C8 H17 O8 P
SMILES:	O=P(OC1C(O)C(O)COC1O)(OC(C)C)O
InChi:	InChI=1S/C8H17O8P/c1-4(2)15-17(12,13)16-7-6(10)5(9)3-14-8(7)11/h4-11H,3H2,1-2H3,(H,12,13)/t5-,6-,7+,8+/m0/s1
Synonyms:	2-O-[(R)-hydroxy(propan-2-yloxy)phosphoryl]-alpha-L-arabinose
Definition date:	2014-03-11
Last modified:	2020-07-17
Release date:	2015-08-19
Identifier:	2-O-[(R)-hydroxy(propan-2-yloxy)phosphoryl]-alpha-L-arabinopyranose

KD5

KD5
Name:	4,7-anhydro-3-deoxy-D-manno-oct-2-ulosonic acid
Formula:	C8 H12 O7
SMILES:	O=C(O)C(=O)CC1OC(CO)C(O)C1O
InChi:	InChI=1S/C8H12O7/c9-2-5-7(12)6(11)4(15-5)1-3(10)8(13)14/h4-7,9,11-12H,1-2H2,(H,13,14)/t4?,5-,6-,7-/m1/s1
Definition date:	2012-03-22
Last modified:	2020-07-17
Release date:	2013-03-27
Identifier:	4,7-anhydro-3-deoxy-D-manno-oct-2-ulosonic acid

18D

18D
Name:	3,5-dideoxy-5-(propanoylamino)-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid
Formula:	C12 H21 N O9
SMILES:	O=C(O)C1(O)OC(C(O)C(O)CO)C(NC(=O)CC)C(O)C1
InChi:	InChI=1S/C12H21NO9/c1-2-7(17)13-8-5(15)3-12(21,11(19)20)22-10(8)9(18)6(16)4-14/h5-6,8-10,14-16,18,21H,2-4H2,1H3,(H,13,17)(H,19,20)/t5-,6+,8+,9+,10+,12+/m0/s1
Synonyms:	3,5-dideoxy-5-(propanoylamino)-D-glycero-alpha-D-galacto-non-2-ulosonic acid
Definition date:	2009-04-27
Last modified:	2020-07-17
Identifier:	3,5-dideoxy-5-(propanoylamino)-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid

MA8

MA8
Name:	(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl 2-(L-cysteinylamino)-2-deoxy-alpha-D-glucopyranoside
Formula:	C15 H28 N2 O11 S
SMILES:	O=C(NC2C(O)C(O)C(OC2OC1C(O)C(O)C(O)C(O)C1O)CO)C(N)CS
InChi:	InChI=1S/C15H28N2O11S/c16-3(2-29)14(26)17-5-7(20)6(19)4(1-18)27-15(5)28-13-11(24)9(22)8(21)10(23)12(13)25/h3-13,15,18-25,29H,1-2,16H2,(H,17,26)/t3-,4+,5+,6+,7+,8-,9-,10+,11+,12+,13-,15+/m0/s1
Synonyms:	(2S,3R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXYL 2-(L-CYSTEINYLAMINO)-2-DEOXY-ALPHA-L-GLUCOPYRANOSIDE
Definition date:	2005-09-26
Last modified:	2020-07-17
Identifier:	(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl 2-(L-cysteinylamino)-2-deoxy-alpha-D-glucopyranoside

MAT

MAT
Name:	2,4-dideoxy-3-O-methyl-4-(propan-2-ylamino)-alpha-L-threo-pentopyranose
Formula:	C9 H19 N O3
SMILES:	O(C)C1C(NC(C)C)COC(O)C1
InChi:	InChI=1S/C9H19NO3/c1-6(2)10-7-5-13-9(11)4-8(7)12-3/h6-11H,4-5H2,1-3H3/t7-,8-,9+/m0/s1
Synonyms:	2,4-DIDEOXY-4-[2-(PROPYL)AMINO]-3-O-METHYL ALPHA-L-THREO-PENTOPYRANOSIDE
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	2,4-dideoxy-3-O-methyl-4-(propan-2-ylamino)-alpha-L-threo-pentopyranose

MDP

MDP
Name:	N-carboxyl-N-methyl-beta-muramic acid
Formula:	C11 H19 N O9
SMILES:	O=C(O)C(OC1C(O)C(OC(O)C1N(C(=O)O)C)CO)C
InChi:	InChI=1S/C11H19NO9/c1-4(9(15)16)20-8-6(12(2)11(18)19)10(17)21-5(3-13)7(8)14/h4-8,10,13-14,17H,3H2,1-2H3,(H,15,16)(H,18,19)/t4-,5-,6-,7-,8-,10-/m1/s1
Synonyms:	N-CARBOXY-N-METHYL-MURAMIC ACID
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	3-O-[(1R)-1-carboxyethyl]-2-[carboxy(methyl)amino]-2-deoxy-alpha-D-glucopyranose

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