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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
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
6Y6
6Y6
Name:2,6-anhydro-3,4,5-trideoxy-4-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]-5-[(2-methylpropanoyl)amino]-D-glycero-D-galacto -non-2-enonic acid
Formula:C17 H26 N4 O8
SMILES:OC(=O)C2=CC(n1cc(nn1)COC)C(NC(=O)C(C)C)C(O2)C(O)C(O)CO
InChi:InChI=1S/C17H26N4O8/c1-8(2)16(25)18-13-10(21-5-9(7-28-3)19-20-21)4-12(17(26)27)29-15(13)14(24)11(23)6-22/h4-5,8,10-11,13-15,22-24H,6-7H2,1-3H3,(H,18,25)(H,26,27)/t10-,11+,13+,14+,15+/m0/s1
Synonyms:(2~{R},3~{R},4~{S})-4-[4-(methoxymethyl)-1,2,3-triazol-1-yl]-3-(2-methylpropanoylamino)-2-[(1~{R},2~{R})-1,2,3-tris(oxi danyl)propyl]-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:2,6-anhydro-3,4,5-trideoxy-4-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]-5-[(2-methylpropanoyl)amino]-D-glycero-D-galacto -non-2-enonic acid
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
4V5
4V5
Name:2-deoxy-2-{[3-(4-hydroxyphenyl)propanoyl]amino}-alpha-D-glucopyranose
Formula:C15 H21 N O7
SMILES:c2cc(CCC(NC1C(C(C(OC1O)CO)O)O)=O)ccc2O
InChi:InChI=1S/C15H21NO7/c17-7-10-13(20)14(21)12(15(22)23-10)16-11(19)6-3-8-1-4-9(18)5-2-8/h1-2,4-5,10,12-15,17-18,20-22H,3,6-7H2,(H,16,19)/t10-,12-,13-,14-,15+/m1/s1
Synonyms:N-[3-(4-hydroxyphenyl)propanoyl]-alpha-D-glucosamine
Definition date:2015-06-04
Last modified:2020-07-17
Release date:2015-06-17
Identifier:2-deoxy-2-{[3-(4-hydroxyphenyl)propanoyl]amino}-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
DK0
DK0
Name:(2~{R})-1-phenylpropan-2-ol
Formula:C9 H12 O
SMILES:C[CH](O)Cc1ccccc1
InChi:InChI=1S/C9H12O/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3/t8-/m1/s1
Definition date:2019-08-06
Last modified:2020-07-17
Release date:2020-07-22
Identifier:(2~{R})-1-phenylpropan-2-ol
DK6
DK6
Name:propane-1,1-diol
Formula:C3 H8 O2
SMILES:CCC(O)O
InChi:InChI=1S/C3H8O2/c1-2-3(4)5/h3-5H,2H2,1H3
Definition date:2019-08-07
Last modified:2020-07-17
Release date:2020-07-22
Identifier:propane-1,1-diol
8LM
8LM
Name:2,6-anhydro-3,5-dideoxy-5-[(2-methylpropanoyl)amino]-3-(4-phenyl-1H-1,2,3-triazol-1-yl)-D-glycero-D-galacto-non-2-enoni c acid
Formula:C21 H26 N4 O8
SMILES:C(=O)(NC1C(O)C(=C(C(O)=O)OC1C(C(CO)O)O)n3cc(c2ccccc2)nn3)C(C)C
InChi:InChI=1S/C21H26N4O8/c1-10(2)20(30)22-14-17(29)15(19(21(31)32)33-18(14)16(28)13(27)9-26)25-8-12(23-24-25)11-6-4-3-5-7-11/h3-8,10,13-14,16-18,26-29H,9H2,1-2H3,(H,22,30)(H,31,32)/t13-,14-,16-,17-,18-/m1/s1
Definition date:2017-02-15
Last modified:2020-07-17
Release date:2018-06-27
Identifier:2,6-anhydro-3,5-dideoxy-5-[(2-methylpropanoyl)amino]-3-(4-phenyl-1H-1,2,3-triazol-1-yl)-D-glycero-D-galacto-non-2-enoni c acid
AMU
AMU
Name:N-acetyl-beta-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:1999-07-08
Last modified:2020-07-17
Identifier:2-(acetylamino)-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranose
AMV
AMV
Name:methyl 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside
Formula:C12 H21 N O8
SMILES:O=C(O)C(OC1C(O)C(OC(OC)C1NC(=O)C)CO)C
InChi:InChI=1S/C12H21NO8/c1-5(11(17)18)20-10-8(13-6(2)15)12(19-3)21-7(4-14)9(10)16/h5,7-10,12,14,16H,4H2,1-3H3,(H,13,15)(H,17,18)/t5-,7-,8-,9-,10-,12-/m1/s1
Synonyms:METHYL 2-(ACETYLAMINO)-3-O-[(1R)-1-CARBOXYETHYL]-2-DEOXY-BETA-D-GLUCOPYRANOSIDE
Definition date:2006-10-25
Last modified:2020-07-17
Identifier:methyl 2-(acetylamino)-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside
H6Q
H6Q
Name:2-O-[(R)-{[(2S)-1,1-dihydroxypropan-2-yl]oxy}(hydroxy)phosphoryl]-beta-D-glucopyranose
Formula:C9 H19 O11 P
SMILES:C[CH](O[P](O)(=O)O[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O)C(O)O
InChi:InChI=1S/C9H19O11P/c1-3(8(13)14)19-21(16,17)20-7-6(12)5(11)4(2-10)18-9(7)15/h3-15H,2H2,1H3,(H,16,17)/t3-,4+,5+,6-,7+,9+/m0/s1
Synonyms:[(2~{S})-1,1-bis(oxidanyl)propan-2-yl] [(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl] hydrogen phosphate
Definition date:2018-11-19
Last modified:2020-07-17
Release date:2019-01-23
Identifier:[(2~{S})-1,1-bis(oxidanyl)propan-2-yl] [(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl] hydrogen phosphate
H6Z
H6Z
Name:2-O-[(R)-{[(2S)-1,1-dihydroxypropan-2-yl]oxy}(hydroxy)phosphoryl]-alpha-D-glucopyranose
Formula:C9 H19 O11 P
SMILES:C[CH](O[P](O)(=O)O[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O)C(O)O
InChi:InChI=1S/C9H19O11P/c1-3(8(13)14)19-21(16,17)20-7-6(12)5(11)4(2-10)18-9(7)15/h3-15H,2H2,1H3,(H,16,17)/t3-,4+,5+,6-,7+,9-/m0/s1
Synonyms:[(2~{S})-1,1-bis(oxidanyl)propan-2-yl] [(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl] hydrogen phosphate
Definition date:2018-11-19
Last modified:2020-07-17
Release date:2019-01-23
Identifier:[(2~{S})-1,1-bis(oxidanyl)propan-2-yl] [(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl] hydrogen phosphate
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
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
IN1
IN1
Name:4-(beta-D-glucopyranosyloxy)-2,2-dihydroxybutyl propanoate
Formula:C13 H24 O10
SMILES:O=C(OCC(O)(O)CCOC1OC(C(O)C(O)C1O)CO)CC
InChi:InChI=1S/C13H24O10/c1-2-8(15)22-6-13(19,20)3-4-21-12-11(18)10(17)9(16)7(5-14)23-12/h7,9-12,14,16-20H,2-6H2,1H3/t7-,9-,10+,11-,12-/m1/s1
Synonyms:PROPIONIC ACID 2,2-DIHYDROXY-3-(1-GLUCOPYRANOSYLOXY)-METHYLPROPYL ESTER
Definition date:1999-07-08
Last modified:2020-07-17
Identifier:4-(beta-D-glucopyranosyloxy)-2,2-dihydroxybutyl propanoate
IPT
IPT
Name:1-methylethyl 1-thio-beta-D-galactopyranoside
Formula:C9 H18 O5 S
SMILES:S(C(C)C)C1OC(C(O)C(O)C1O)CO
InChi:InChI=1S/C9H18O5S/c1-4(2)15-9-8(13)7(12)6(11)5(3-10)14-9/h4-13H,3H2,1-2H3/t5-,6+,7+,8-,9+/m1/s1
Synonyms:ISOPROPYL-1-BETA-D-THIOGALACTOSIDE
Definition date:1999-07-08
Last modified:2020-07-17
Identifier:1-methylethyl 1-thio-beta-D-galactopyranoside
TYC
TYC
Name:L-TYROSINAMIDE
Formula:C9 H12 N2 O2
SMILES:O=C(N)C(N)Cc1ccc(O)cc1
InChi:InChI=1S/C9H12N2O2/c10-8(9(11)13)5-6-1-3-7(12)4-2-6/h1-4,8,12H,5,10H2,(H2,11,13)/t8-/m0/s1
Definition date:2004-12-06
Last modified:2020-07-15
Identifier:L-tyrosinamide
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
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)
QGP
QGP
Name:(2S)-2-amino-3-[2',4'-dichloro-4-hydroxy-5-(phosphonomethyl)biphenyl-3-yl]propanoic acid
Formula:C16 H16 Cl2 N O6 P
SMILES:c2(c(CP(O)(=O)O)cc(c1c(cc(Cl)cc1)Cl)cc2CC(N)C(O)=O)O
InChi:InChI=1S/C16H16Cl2NO6P/c17-11-1-2-12(13(18)6-11)8-3-9(5-14(19)16(21)22)15(20)10(4-8)7-26(23,24)25/h1-4,6,14,20H,5,7,19H2,(H,21,22)(H2,23,24,25)/t14-/m0/s1
Definition date:2019-10-29
Last modified:2020-07-10
Release date:2020-07-15
Identifier:(2S)-2-amino-3-[2',4'-dichloro-4-hydroxy-5-(phosphonomethyl)biphenyl-3-yl]propanoic acid (non-preferred name)
RPV
RPV
Name:5-{[3-(1H-indol-3-yl)propanoyl]amino}-1-phenyl-1H-pyrazole-4-carboxylic acid
Formula:C21 H18 N4 O3
SMILES:c1cc(ccc1)n2ncc(C(O)=O)c2NC(CCc4c3c(cccc3)nc4)=O
InChi:InChI=1S/C21H18N4O3/c26-19(11-10-14-12-22-18-9-5-4-8-16(14)18)24-20-17(21(27)28)13-23-25(20)15-6-2-1-3-7-15/h1-9,12-13,22H,10-11H2,(H,24,26)(H,27,28)
Definition date:2020-02-20
Last modified:2020-07-10
Release date:2020-07-15
Identifier:5-{[3-(1H-indol-3-yl)propanoyl]amino}-1-phenyl-1H-pyrazole-4-carboxylic acid
OXB
OXB
Name:3-[(2~{R},5~{S})-2-(2,5-dimethylphenyl)-5-methyl-morpholin-4-yl]propane-1-sulfonamide
Formula:C16 H26 N2 O3 S
SMILES:C[CH]1CO[CH](CN1CCC[S](N)(=O)=O)c2cc(C)ccc2C
InChi:InChI=1S/C16H26N2O3S/c1-12-5-6-13(2)15(9-12)16-10-18(14(3)11-21-16)7-4-8-22(17,19)20/h5-6,9,14,16H,4,7-8,10-11H2,1-3H3,(H2,17,19,20)/t14-,16-/m0/s1
Definition date:2020-04-07
Last modified:2020-07-10
Release date:2020-07-15
Identifier:3-[(2~{R},5~{S})-2-(2,5-dimethylphenyl)-5-methyl-morpholin-4-yl]propane-1-sulfonamide

223532

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