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MMA
MMA
Name:methyl alpha-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
Synonyms:O1-METHYL-MANNOSE
Definition date:1999-07-08
Last modified:2020-07-17
Identifier:methyl alpha-D-mannopyranoside
MN0
MN0
Name:methyl 3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid
Formula:C12 H21 N O10
SMILES:O=C(O)C1(OC)OC(C(NC(=O)CO)C(O)C1)C(O)C(O)CO
InChi:InChI=1S/C12H21NO10/c1-22-12(11(20)21)2-5(16)8(13-7(18)4-15)10(23-12)9(19)6(17)3-14/h5-6,8-10,14-17,19H,2-4H2,1H3,(H,13,18)(H,20,21)/t5-,6+,8+,9+,10+,12+/m0/s1
Synonyms:methyl 3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-alpha-D-galacto-non-2-ulosidonic acid
Definition date:2011-07-21
Last modified:2020-07-17
Identifier:methyl 3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid
MNA
MNA
Name:2-O-methyl-5-N-acetyl-alpha-D-neuraminic acid
Formula:C12 H21 N O9
SMILES:O=C(O)C1(OC)OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1
InChi:InChI=1S/C12H21NO9/c1-5(15)13-8-6(16)3-12(21-2,11(19)20)22-10(8)9(18)7(17)4-14/h6-10,14,16-18H,3-4H2,1-2H3,(H,13,15)(H,19,20)/t6-,7+,8+,9+,10+,12+/m0/s1
Synonyms:2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACID
Definition date:1999-07-08
Last modified:2020-07-17
Identifier:methyl 5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid
MRP
MRP
Name:3-O-methyl-alpha-L-rhamnopyranose
Formula:C7 H14 O5
SMILES:O(C1C(O)C(OC(O)C1O)C)C
InChi:InChI=1S/C7H14O5/c1-3-4(8)6(11-2)5(9)7(10)12-3/h3-10H,1-2H3/t3-,4-,5+,6+,7+/m0/s1
Synonyms:3-O-METHYL-ALPHA-L-RHAMNOPYRANOSIDE
Definition date:1999-07-08
Last modified:2020-07-17
Identifier:6-deoxy-3-O-methyl-alpha-L-mannopyranose
MUB
MUB
Name:N-acetyl-alpha-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:2004-03-16
Last modified:2020-07-17
Identifier:2-(acetylamino)-3-O-[(1R)-1-carboxyethyl]-2-deoxy-alpha-D-glucopyranose
MXZ
MXZ
Name:2-O-methyl-alpha-L-fucopyranose
Formula:C7 H14 O5
SMILES:O(C)C1C(O)C(O)C(OC1O)C
InChi:InChI=1S/C7H14O5/c1-3-4(8)5(9)6(11-2)7(10)12-3/h3-10H,1-2H3/t3-,4+,5+,6-,7+/m0/s1
Synonyms:6-DEOXY-2-O-METHYL-ALPHA-L-GALACTOPYRANOSE
Definition date:2003-04-15
Last modified:2020-07-17
Identifier:6-deoxy-2-O-methyl-alpha-L-galactopyranose
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
NDG
NDG
Name:2-acetamido-2-deoxy-alpha-D-glucopyranose
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-alpha-D-glucosamine
Definition date:2002-07-02
Last modified:2020-07-17
Identifier:2-(acetylamino)-2-deoxy-alpha-D-glucopyranose
NG1
NG1
Name:2-acetamido-2-deoxy-1-O-phosphono-alpha-D-galactopyranose
Formula:C8 H16 N O9 P
SMILES:O=P(OC1OC(C(O)C(O)C1NC(=O)C)CO)(O)O
InChi:InChI=1S/C8H16NO9P/c1-3(11)9-5-7(13)6(12)4(2-10)17-8(5)18-19(14,15)16/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H2,14,15,16)/t4-,5-,6+,7-,8-/m1/s1
Synonyms:N-ACETYL-ALPHA-D-GALACTOSAMINE 1-PHOSPHATE
Definition date:2005-06-27
Last modified:2020-07-17
Identifier:2-(acetylamino)-2-deoxy-1-O-phosphono-alpha-D-galactopyranose
NGC
NGC
Name:N-glycolyl-alpha-neuraminic acid
Formula:C11 H19 N O10
SMILES:O=C(O)C1(O)OC(C(NC(=O)CO)C(O)C1)C(O)C(O)CO
InChi:InChI=1S/C11H19NO10/c13-2-5(16)8(18)9-7(12-6(17)3-14)4(15)1-11(21,22-9)10(19)20/h4-5,7-9,13-16,18,21H,1-3H2,(H,12,17)(H,19,20)/t4-,5+,7+,8+,9+,11+/m0/s1
Synonyms:N-glycolylneuraminic acid
Definition date:2008-07-25
Last modified:2020-07-17
Identifier:3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid
NGK
NGK
Name:2-acetamido-2-deoxy-4-O-sulfo-alpha-D-galactopyranose
Formula:C8 H15 N O9 S
SMILES:O=S(=O)(O)OC1C(OC(O)C(NC(=O)C)C1O)CO
InChi:InChI=1S/C8H15NO9S/c1-3(11)9-5-6(12)7(18-19(14,15)16)4(2-10)17-8(5)13/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H,14,15,16)/t4-,5-,6-,7+,8+/m1/s1
Synonyms:2-(ACETYLAMINO)-2-DEOXY-4-O-SULFO-ALPHA-D-GALACTOPYRANOSE
Definition date:2003-04-15
Last modified:2020-07-17
Identifier:2-(acetylamino)-2-deoxy-4-O-sulfo-alpha-D-galactopyranose
NGY
NGY
Name:2-acetamido-2-deoxy-6-O-sulfo-alpha-D-glucopyranose
Formula:C8 H15 N O9 S
SMILES:O=S(=O)(O)OCC1OC(O)C(NC(=O)C)C(O)C1O
InChi:InChI=1S/C8H15NO9S/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H,14,15,16)/t4-,5-,6-,7-,8+/m1/s1
Synonyms:2-(acetylamino)-2-deoxy-6-O-sulfo-alpha-D-glucopyranose
Definition date:2008-06-13
Last modified:2020-07-17
Identifier:2-(acetylamino)-2-deoxy-6-O-sulfo-alpha-D-glucopyranose
NGZ
NGZ
Name:2-acetamido-2-deoxy-alpha-L-glucopyranose
Formula:C8 H15 N O6
SMILES:C1(C(C(C(C(CO)O1)O)O)NC(C)=O)O
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+/m0/s1
Synonyms:N-acetyl-alpha-L-glucosamine
Definition date:2004-06-10
Last modified:2020-07-17
Identifier:2-(acetylamino)-2-deoxy-alpha-L-glucopyranose
L4B
L4B
Name:(4~{a}~{R},4~{b}~{S},6~{a}~{R},11~{a}~{R},11~{b}~{S},13~{a}~{R})-1,1,4~{a},6~{a},11~{b}-pentamethyl-9,10-bis(oxidanyl)- 3,4,4~{b},5,6,11,11~{a},12,13,13~{a}-decahydro-2~{H}-indeno[2,1-a]phenanthrene-7-carboxylic acid
Formula:C27 H38 O4
SMILES:CC1(C)CCC[C]2(C)[CH]1CC[C]3(C)[CH]2CC[C]4(C)[CH]3Cc5c(O)c(O)cc(C(O)=O)c45
InChi:InChI=1S/C27H38O4/c1-24(2)9-6-10-25(3)18(24)7-11-26(4)19(25)8-12-27(5)20(26)14-15-21(27)16(23(30)31)13-17(28)22(15)29/h13,18-20,28-29H,6-12,14H2,1-5H3,(H,30,31)/t18-,19+,20-,25-,26+,27-/m1/s1
Synonyms:merosterolic acid A
Definition date:2019-07-19
Last modified:2020-07-10
Release date:2020-07-15
Identifier:(4~{a}~{R},4~{b}~{S},6~{a}~{R},11~{a}~{R},11~{b}~{S},13~{a}~{R})-1,1,4~{a},6~{a},11~{b}-pentamethyl-9,10-bis(oxidanyl)-3,4,4~{b},5,6,11,11~{a},12,13,13~{a}-decahydro-2~{H}-indeno[2,1-a]phenanthrene-7-carboxylic acid
O1W
O1W
Name:6-[1-[(2~{S})-1-methoxypropan-2-yl]-6-[(3~{S})-3-methylmorpholin-4-yl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-~{N}-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
Formula:C24 H33 N9 O2
SMILES:COC[CH](C)n1c2cc(ncc2nc1c3cn4c(C)nnc4c(NC(C)C)n3)N5CCOC[CH]5C
InChi:InChI=1S/C24H33N9O2/c1-14(2)26-22-24-30-29-17(5)32(24)11-19(27-22)23-28-18-10-25-21(31-7-8-35-13-15(31)3)9-20(18)33(23)16(4)12-34-6/h9-11,14-16H,7-8,12-13H2,1-6H3,(H,26,27)/t15-,16-/m0/s1
Definition date:2020-01-21
Last modified:2020-07-03
Release date:2020-07-08
Identifier:6-[1-[(2~{S})-1-methoxypropan-2-yl]-6-[(3~{S})-3-methylmorpholin-4-yl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-~{N}-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
O2B
O2B
Name:3-methyl-6-[6-[(3~{S})-3-methylmorpholin-4-yl]-1-[(1~{S})-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]-~{N}-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
Formula:C28 H33 N9 O
SMILES:CC(C)Nc1nc(cn2c(C)nnc12)c3nc4cnc(cc4n3[CH](C)c5ccccc5)N6CCOC[CH]6C
InChi:InChI=1S/C28H33N9O/c1-17(2)30-26-28-34-33-20(5)36(28)15-23(31-26)27-32-22-14-29-25(35-11-12-38-16-18(35)3)13-24(22)37(27)19(4)21-9-7-6-8-10-21/h6-10,13-15,17-19H,11-12,16H2,1-5H3,(H,30,31)/t18-,19-/m0/s1
Definition date:2020-01-21
Last modified:2020-07-03
Release date:2020-07-08
Identifier:3-methyl-6-[6-[(3~{S})-3-methylmorpholin-4-yl]-1-[(1~{S})-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]-~{N}-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
O32
O32
Name:(4~{R})-4-[(1~{R})-1-[7-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
Formula:C22 H21 N5 O2
SMILES:C[CH](Oc1cc(cc2ncccc12)c3ccc4nnc(C)n4c3)[CH]5CNC(=O)C5
InChi:InChI=1S/C22H21N5O2/c1-13(17-10-22(28)24-11-17)29-20-9-16(8-19-18(20)4-3-7-23-19)15-5-6-21-26-25-14(2)27(21)12-15/h3-9,12-13,17H,10-11H2,1-2H3,(H,24,28)/t13-,17-/m1/s1
Definition date:2020-01-21
Last modified:2020-07-03
Release date:2020-07-08
Identifier:(4~{R})-4-[(1~{R})-1-[7-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
KG8
KG8
Name:(5~{R},6~{R},7~{S},8~{S})-5-(hydroxymethyl)-2-(3-phenylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
Formula:C17 H22 N2 O4
SMILES:OC[CH]1[CH](O)[CH](O)[CH](O)c2nc(CCCc3ccccc3)cn12
InChi:InChI=1S/C17H22N2O4/c20-10-13-14(21)15(22)16(23)17-18-12(9-19(13)17)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9,13-16,20-23H,4,7-8,10H2/t13-,14-,15+,16-/m1/s1
Definition date:2019-05-21
Last modified:2020-07-03
Release date:2020-07-08
Identifier:(5~{R},6~{R},7~{S},8~{S})-5-(hydroxymethyl)-2-(3-phenylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
D7U
D7U
Name:6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(methylsulfonylmethyl)pyridin-3-yl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
Formula:C21 H17 F2 N3 O4 S
SMILES:Cc1cc(n2C=CNC(=O)c12)c3cc(C[S](C)(=O)=O)cnc3Oc4ccc(F)cc4F
InChi:InChI=1S/C21H17F2N3O4S/c1-12-7-17(26-6-5-24-20(27)19(12)26)15-8-13(11-31(2,28)29)10-25-21(15)30-18-4-3-14(22)9-16(18)23/h3-10H,11H2,1-2H3,(H,24,27)
Definition date:2019-07-12
Last modified:2020-07-03
Release date:2020-07-08
Identifier:6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(methylsulfonylmethyl)pyridin-3-yl]-8-methyl-2~{H}-pyrrolo[1,2-a]pyrazin-1-one
D7X
D7X
Name:N-[3-(8-methyl-1-oxidanylidene-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-phenoxy-phenyl]methanesulfonamide
Formula:C21 H19 N3 O4 S
SMILES:Cc1cc(n2C=CNC(=O)c12)c3cc(N[S](C)(=O)=O)ccc3Oc4ccccc4
InChi:InChI=1S/C21H19N3O4S/c1-14-12-18(24-11-10-22-21(25)20(14)24)17-13-15(23-29(2,26)27)8-9-19(17)28-16-6-4-3-5-7-16/h3-13,23H,1-2H3,(H,22,25)
Definition date:2019-07-16
Last modified:2020-07-03
Release date:2020-07-08
Identifier:~{N}-[3-(8-methyl-1-oxidanylidene-2~{H}-pyrrolo[1,2-a]pyrazin-6-yl)-4-phenoxy-phenyl]methanesulfonamide
D89
D89
Name:6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(ethylsulfonylmethyl)pyridin-3-yl]-8-methyl-4H-pyrrolo[1,2-a]pyrazin-1-one
Formula:C22 H19 F2 N3 O4 S
SMILES:CC[S](=O)(=O)Cc1cnc(Oc2ccc(F)cc2F)c(c1)c3cc(C)c4n3CC=NC4=O
InChi:InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)12-14-9-16(18-8-13(2)20-21(28)25-6-7-27(18)20)22(26-11-14)31-19-5-4-15(23)10-17(19)24/h4-6,8-11H,3,7,12H2,1-2H3
Definition date:2019-07-16
Last modified:2020-07-03
Release date:2020-07-08
Identifier:6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(ethylsulfonylmethyl)pyridin-3-yl]-8-methyl-4~{H}-pyrrolo[1,2-a]pyrazin-1-one
JR9
JR9
Name:N~3~-benzyl-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]imidazo[1,2-a]pyrazine-3,8-diamine
Formula:C21 H18 Br N5 O2
SMILES:Brc1c(cc2OCOc2c1)Cc4nc5c(nccn5c4NCc3ccccc3)N
InChi:InChI=1S/C21H18BrN5O2/c22-15-10-18-17(28-12-29-18)9-14(15)8-16-20(25-11-13-4-2-1-3-5-13)27-7-6-24-19(23)21(27)26-16/h1-7,9-10,25H,8,11-12H2,(H2,23,24)
Definition date:2014-08-26
Last modified:2020-06-27
Release date:2014-11-05
Identifier:N~3~-benzyl-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]imidazo[1,2-a]pyrazine-3,8-diamine
OO4
OO4
Name:methyl [(1S)-1-cyclopropyl-2-({(2S,3S,5S)-5-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-1,6-diphenylhexan-2-yl}amino)-2-oxoethyl]carbamate
Formula:C32 H41 N3 O8
SMILES:c1(ccccc1)CC(C(CC(NC(OC2C3C(OC2)OCC3)=O)Cc4ccccc4)O)NC(=O)C(C5CC5)NC(OC)=O
InChi:InChI=1S/C32H41N3O8/c1-40-31(38)35-28(22-12-13-22)29(37)34-25(17-21-10-6-3-7-11-21)26(36)18-23(16-20-8-4-2-5-9-20)33-32(39)43-27-19-42-30-24(27)14-15-41-30/h2-11,22-28,30,36H,12-19H2,1H3,(H,33,39)(H,34,37)(H,35,38)/t23-,24-,25-,26-,27-,28-,30+/m0/s1
Definition date:2019-07-02
Last modified:2020-06-26
Release date:2020-07-01
Identifier:methyl [(1S)-1-cyclopropyl-2-({(2S,3S,5S)-5-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-1,6-diphenylhexan-2-yl}amino)-2-oxoethyl]carbamate
OO7
OO7
Name:N-{[5-(methoxymethyl)-2-(trifluoromethoxy)phenyl]methyl}-N'-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)urea
Formula:C24 H22 F3 N5 O3
SMILES:C(F)(F)(F)Oc4c(CNC(Nc2c(c1ccccc1)nc3n2ccnc3C)=O)cc(cc4)COC
InChi:InChI=1S/C24H22F3N5O3/c1-15-21-30-20(17-6-4-3-5-7-17)22(32(21)11-10-28-15)31-23(33)29-13-18-12-16(14-34-2)8-9-19(18)35-24(25,26)27/h3-12H,13-14H2,1-2H3,(H2,29,31,33)
Definition date:2019-07-02
Last modified:2020-06-26
Release date:2020-07-01
Identifier:N-{[5-(methoxymethyl)-2-(trifluoromethoxy)phenyl]methyl}-N'-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)urea
OP7
OP7
Name:methyl [(1S)-1-cyclopentyl-2-({(2S,3S,5S)-5-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-1,6-diphenylhexan-2-yl}amino)-2-oxoethyl]carbamate
Formula:C34 H45 N3 O8
SMILES:c5c(CC(C(CC(Cc1ccccc1)NC(=O)OC2COC3C2CCO3)O)NC(C(C4CCCC4)NC(OC)=O)=O)cccc5
InChi:InChI=1S/C34H45N3O8/c1-42-33(40)37-30(24-14-8-9-15-24)31(39)36-27(19-23-12-6-3-7-13-23)28(38)20-25(18-22-10-4-2-5-11-22)35-34(41)45-29-21-44-32-26(29)16-17-43-32/h2-7,10-13,24-30,32,38H,8-9,14-21H2,1H3,(H,35,41)(H,36,39)(H,37,40)/t25-,26-,27-,28-,29-,30-,32+/m0/s1
Definition date:2019-07-02
Last modified:2020-06-26
Release date:2020-07-01
Identifier:methyl [(1S)-1-cyclopentyl-2-({(2S,3S,5S)-5-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-1,6-diphenylhexan-2-yl}amino)-2-oxoethyl]carbamate

223790

PDB entries from 2024-08-14

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