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PDB Info pages Status search Chemie search: 902 results BIRD

PA1

PA1
Name:	2-amino-2-deoxy-alpha-D-glucopyranose
Formula:	C6 H13 N O5
SMILES:	OC1C(O)C(OC(O)C1N)CO
InChi:	InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6+/m1/s1
Synonyms:	alpah-D-glucosamine
Definition date:	1999-07-08
Last modified:	2021-08-24
Identifier:	2-amino-2-deoxy-alpha-D-glucopyranose

XKJ

XKJ
Name:	dodecyl beta-D-glucopyranoside
Formula:	C18 H36 O6
SMILES:	C(O)C1C(C(O)C(C(O1)OCCCCCCCCCCCC)O)O
InChi:	InChI=1S/C18H36O6/c1-2-3-4-5-6-7-8-9-10-11-12-23-18-17(22)16(21)15(20)14(13-19)24-18/h14-22H,2-13H2,1H3/t14-,15-,16+,17-,18-/m1/s1
Definition date:	2020-12-17
Last modified:	2021-07-30
Release date:	2021-08-04
Identifier:	dodecyl beta-D-glucopyranoside

98W

98W
Name:	dimethyl 5-oxidanylbenzene-1,3-dicarboxylate
Formula:	C10 H10 O5
SMILES:	COC(=O)c1cc(O)cc(c1)C(=O)OC
InChi:	InChI=1S/C10H10O5/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h3-5,11H,1-2H3
Definition date:	2017-04-28
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	dimethyl 5-oxidanylbenzene-1,3-dicarboxylate

OMS

OMS
Name:	1-methylcyclobutyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate
Formula:	C38 H50 N6 O9 S
SMILES:	C1(C(CCCCCC=CC6C(NC(C2N1CC(C2)Oc4nc3c(ccc(c3)OC)nc4C)=O)(C(NS(C5(CC5)C)(=O)=O)=O)C6)NC(=O)OC7(C)CCC7)=O
InChi:	InChI=1S/C38H50N6O9S/c1-23-32(40-29-19-25(51-4)13-14-27(29)39-23)52-26-20-30-31(45)42-38(34(47)43-54(49,50)37(3)17-18-37)21-24(38)11-8-6-5-7-9-12-28(33(46)44(30)22-26)41-35(48)53-36(2)15-10-16-36/h8,11,13-14,19,24,26,28,30H,5-7,9-10,12,15-18,20-22H2,1-4H3,(H,41,48)(H,42,45)(H,43,47)/b11-8-/t24-,26-,28+,30+,38-/m1/s1
Synonyms:	P4-2 (NR02-61)
Definition date:	2019-06-28
Last modified:	2021-03-01
Release date:	2020-03-04
Identifier:	1-methylcyclobutyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate

NGO

NGO
Name:	2-METHYL-4,5-DIHYDRO-(1,2-DIDEOXY-ALPHA-D-GLUCOPYRANOSO)[2,1-D]-1,3-OXAZOLE
Formula:	C8 H14 N O5
SMILES:	O1C(=[NH+]C2C(O)C(O)C(OC12)CO)C
InChi:	InChI=1S/C8H13NO5/c1-3-9-5-7(12)6(11)4(2-10)14-8(5)13-3/h4-8,10-12H,2H2,1H3/p+1/t4-,5-,6-,7-,8+/m1/s1
Synonyms:	N-ACETYLGLUCOSAMINE-OXAZOLINIUM ION INTERMEDIATE
Definition date:	2000-08-25
Last modified:	2021-03-01
Identifier:	(3aR,5R,6S,7R,7aR)-6,7-dihydroxy-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-1-ium

12U

12U
Name:	N-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide
Formula:	C22 H33 N5 O2
SMILES:	O=C(NCc1ccc(C(=[N@H])N)cc1)C3N(C(=O)CNC2CCCCCC2)CCC3
InChi:	InChI=1S/C22H33N5O2/c23-21(24)17-11-9-16(10-12-17)14-26-22(29)19-8-5-13-27(19)20(28)15-25-18-6-3-1-2-4-7-18/h9-12,18-19,25H,1-8,13-15H2,(H3,23,24)(H,26,29)/t19-/m0/s1
Synonyms:	(2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[2-(cycloheptylamino)ethanoyl]pyrrolidine-2-carboxamide
Definition date:	2008-01-15
Last modified:	2021-03-01
Identifier:	N-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide

RR7

RR7
Name:	2-deoxy-beta-D-arabino-hexopyranose
Formula:	C6 H12 O5
SMILES:	C1(CC(O)C(C(CO)O1)O)O
InChi:	InChI=1S/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4-,5-,6+/m1/s1
Synonyms:	2-deoxy-alpha-D-glucopyranose
Definition date:	2020-02-24
Last modified:	2021-02-23
Release date:	2020-07-29
Identifier:	2-deoxy-beta-D-arabino-hexopyranose

RRJ

RRJ
Name:	4-chloro-4-deoxy-alpha-D-galactopyranose
Formula:	C6 H11 Cl O5
SMILES:	OC1C(C(C(C(O1)CO)Cl)O)O
InChi:	InChI=1S/C6H11ClO5/c7-3-2(1-8)12-6(11)5(10)4(3)9/h2-6,8-11H,1H2/t2-,3+,4+,5-,6+/m1/s1
Definition date:	2020-02-24
Last modified:	2021-02-23
Release date:	2020-07-29
Identifier:	4-chloro-4-deoxy-alpha-D-galactopyranose

RRY

RRY
Name:	1,6-dichloro-1,6-dideoxy-beta-D-fructofuranose
Formula:	C6 H10 Cl2 O4
SMILES:	OC1C(O)C(CCl)OC1(CCl)O
InChi:	InChI=1S/C6H10Cl2O4/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,9-11H,1-2H2/t3-,4-,5+,6-/m1/s1
Definition date:	2020-02-24
Last modified:	2021-02-23
Release date:	2020-07-29
Identifier:	1,6-dichloro-1,6-dideoxy-beta-D-fructofuranose

X2Y

X2Y
Name:	2,4-di-O-sulfo-alpha-L-fucopyranose
Formula:	C6 H12 O11 S2
SMILES:	C1(C(C(C(C(O1)O)OS(O)(=O)=O)O)OS(O)(=O)=O)C
InChi:	InChI=1S/C6H12O11S2/c1-2-4(16-18(9,10)11)3(7)5(6(8)15-2)17-19(12,13)14/h2-8H,1H3,(H,9,10,11)(H,12,13,14)/t2-,3+,4+,5-,6+/m0/s1
Synonyms:	6-deoxy-2,4-di-O-sulfo-alpha-L-galactopyranose
Definition date:	2020-11-23
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	6-deoxy-2,4-di-O-sulfo-alpha-L-galactopyranose

X34

X34
Name:	4-O-sulfo-alpha-L-fucopyranose
Formula:	C6 H12 O8 S
SMILES:	C1(C(OS(O)(=O)=O)C(O)C(O)C(O)O1)C
InChi:	InChI=1S/C6H12O8S/c1-2-5(14-15(10,11)12)3(7)4(8)6(9)13-2/h2-9H,1H3,(H,10,11,12)/t2-,3-,4-,5+,6+/m0/s1
Synonyms:	6-deoxy-4-O-sulfo-alpha-L-galactopyranose
Definition date:	2020-11-23
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	6-deoxy-4-O-sulfo-alpha-L-galactopyranose

X6Y

X6Y
Name:	2-O-sulfo-alpha-L-fucopyranose
Formula:	C6 H12 O8 S
SMILES:	C1(C)C(O)C(C(C(O1)O)OS(=O)(O)=O)O
InChi:	InChI=1S/C6H12O8S/c1-2-3(7)4(8)5(6(9)13-2)14-15(10,11)12/h2-9H,1H3,(H,10,11,12)/t2-,3+,4+,5-,6+/m0/s1
Synonyms:	6-deoxy-2-O-sulfo-alpha-L-galactopyranose
Definition date:	2020-12-01
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	6-deoxy-2-O-sulfo-alpha-L-galactopyranose

F8X

F8X
Name:	2-amino-2-deoxy-beta-D-altropyranuronic acid
Formula:	C6 H11 N O6
SMILES:	NC1C(O)C(O)C(C(O)=O)OC1O
InChi:	InChI=1S/C6H11NO6/c7-1-2(8)3(9)4(5(10)11)13-6(1)12/h1-4,6,8-9,12H,7H2,(H,10,11)/t1-,2-,3-,4-,6+/m0/s1
Definition date:	2020-04-16
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	2-amino-2-deoxy-beta-D-altropyranuronic acid

H3U

H3U
Name:	8-(3-(3-aminobenzamido)-4-methylbenzamido)naphthalene-1,3,5-trisulfonic acid
Formula:	C25 H21 N3 O11 S3
SMILES:	Cc1ccc(cc1NC(=O)c2cccc(N)c2)C(=O)Nc3ccc(c4cc(cc(c34)[S](O)(=O)=O)[S](O)(=O)=O)[S](O)(=O)=O
InChi:	InChI=1S/C25H21N3O11S3/c1-13-5-6-15(10-20(13)28-24(29)14-3-2-4-16(26)9-14)25(30)27-19-7-8-21(41(34,35)36)18-11-17(40(31,32)33)12-22(23(18)19)42(37,38)39/h2-12H,26H2,1H3,(H,27,30)(H,28,29)(H,31,32,33)(H,34,35,36)(H,37,38,39)
Definition date:	2020-11-02
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	8-[[3-[(3-aminophenyl)carbonylamino]-4-methyl-phenyl]carbonylamino]naphthalene-1,3,5-trisulfonic acid

42D

42D
Name:	3,5-dideoxy-5-[(methoxycarbonyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid
Formula:	C11 H19 N O10
SMILES:	O=C(O)C1(O)OC(C(O)C(O)CO)C(NC(=O)OC)C(O)C1
InChi:	InChI=1S/C11H19NO10/c1-21-10(19)12-6-4(14)2-11(20,9(17)18)22-8(6)7(16)5(15)3-13/h4-8,13-16,20H,2-3H2,1H3,(H,12,19)(H,17,18)/t4-,5+,6+,7+,8+,11+/m0/s1
Synonyms:	3,5-dideoxy-5-[(methoxycarbonyl)amino]-D-glycero-alpha-D-galacto-non-2-ulosonic acid
Definition date:	2009-04-27
Last modified:	2020-10-19
Identifier:	3,5-dideoxy-5-[(methoxycarbonyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid

TWG

TWG
Name:	6-thio-alpha-D-mannopyranose
Formula:	C6 H12 O5 S
SMILES:	C1(OC(C(C(C1O)O)O)CS)O
InChi:	InChI=1S/C6H12O5S/c7-3-2(1-12)11-6(10)5(9)4(3)8/h2-10,12H,1H2/t2-,3-,4+,5+,6+/m1/s1
Definition date:	2020-04-01
Last modified:	2020-08-11
Release date:	2020-07-29
Identifier:	6-thio-alpha-D-mannopyranose

L1L

L1L
Name:	2-amino-2-deoxy-1-O-phosphono-alpha-D-glucopyranose
Formula:	C6 H14 N O8 P
SMILES:	N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[P](O)(O)=O
InChi:	InChI=1S/C6H14NO8P/c7-3-5(10)4(9)2(1-8)14-6(3)15-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6-/m1/s1
Synonyms:	[(2R,3R,4R,5S,6R)-3-azanyl-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] dihydrogen phosphate
Definition date:	2016-02-09
Last modified:	2020-08-11
Release date:	2016-08-10
Identifier:	[(2R,3R,4R,5S,6R)-3-azanyl-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] dihydrogen phosphate

YJM

YJM
Name:	2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose
Formula:	C6 H13 N O11 S2
SMILES:	C1(O)C(NS(O)(=O)=O)C(O)C(C(O1)COS(=O)(O)=O)O
InChi:	InChI=1S/C6H13NO11S2/c8-4-2(1-17-20(14,15)16)18-6(10)3(5(4)9)7-19(11,12)13/h2-10H,1H2,(H,11,12,13)(H,14,15,16)/t2-,3-,4-,5-,6+/m1/s1
Synonyms:	2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucose
Definition date:	2016-08-25
Last modified:	2020-08-11
Release date:	2018-02-21
Identifier:	2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose

RV7

RV7
Name:	4-amino-4,6-dideoxy-alpha-D-glucopyranose
Formula:	C6 H13 N O4
SMILES:	C1(OC(C(C(C1O)O)N)C)O
InChi:	InChI=1S/C6H13NO4/c1-2-3(7)4(8)5(9)6(10)11-2/h2-6,8-10H,7H2,1H3/t2-,3-,4+,5-,6+/m1/s1
Definition date:	2020-02-26
Last modified:	2020-08-11
Release date:	2020-07-29
Identifier:	4-amino-4,6-dideoxy-alpha-D-glucopyranose

GPO

GPO
Name:	4-O-phosphono-D-glycero-beta-D-manno-heptopyranose
Formula:	C7 H15 O10 P
SMILES:	O=P(O)(O)OC1C(OC(O)C(O)C1O)C(O)CO
InChi:	InChI=1S/C7H15O10P/c8-1-2(9)5-6(17-18(13,14)15)3(10)4(11)7(12)16-5/h2-12H,1H2,(H2,13,14,15)/t2-,3-,4+,5-,6+,7-/m1/s1
Synonyms:	4-O-phosphono-D-glycero-beta-D-manno-heptose
Definition date:	2008-03-28
Last modified:	2020-08-11
Identifier:	4-O-phosphono-D-glycero-beta-D-manno-heptopyranose

6LS

6LS
Name:	heptyl 2-deoxy-alpha-D-mannopyranoside
Formula:	C13 H26 O5
SMILES:	CCCCCCCO[CH]1C[CH](O)[CH](O)[CH](CO)O1
InChi:	InChI=1S/C13H26O5/c1-2-3-4-5-6-7-17-12-8-10(15)13(16)11(9-14)18-12/h10-16H,2-9H2,1H3/t10-,11-,12+,13+/m1/s1
Synonyms:	2-Deoxy-Heptylmannoside
Definition date:	2016-05-27
Last modified:	2020-07-18
Release date:	2017-06-21
Identifier:	(2~{R},3~{S},4~{R},6~{S})-6-heptoxy-2-(hydroxymethyl)oxane-3,4-diol

Z61

Z61
Name:	2-deoxy-alpha-D-arabino-hexopyranose
Formula:	C6 H12 O5
SMILES:	OC1C(OC(O)CC1O)CO
InChi:	InChI=1S/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4-,5+,6+/m1/s1
Synonyms:	2-deoxy-alpha-D-glucopyranose
Definition date:	2012-12-18
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	2-deoxy-alpha-D-arabino-hexopyranose

TW7

TW7
Name:	2-deoxy-2,2-difluoro-alpha-D-arabino-hexopyranosyl fluoride
Formula:	C6 H9 F3 O4
SMILES:	C1(F)C(F)(F)C(C(O)C(O1)CO)O
InChi:	InChI=1S/C6H9F3O4/c7-5-6(8,9)4(12)3(11)2(1-10)13-5/h2-5,10-12H,1H2/t2-,3-,4+,5+/m1/s1
Definition date:	2020-04-01
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	2-deoxy-2,2-difluoro-alpha-D-arabino-hexopyranosyl fluoride

TWA

TWA
Name:	2,3,4-tri-O-sulfo-beta-D-altropyranose
Formula:	C6 H12 O15 S3
SMILES:	C(C1OC(C(OS(O)(=O)=O)C(C1OS(O)(=O)=O)OS(=O)(=O)O)O)O
InChi:	InChI=1S/C6H12O15S3/c7-1-2-3(19-22(9,10)11)4(20-23(12,13)14)5(6(8)18-2)21-24(15,16)17/h2-8H,1H2,(H,9,10,11)(H,12,13,14)(H,15,16,17)/t2-,3-,4-,5+,6-/m1/s1
Definition date:	2020-04-01
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	2,3,4-tri-O-sulfo-beta-D-altropyranose

V3P

V3P
Name:	4-iodophenyl 1,4-dithio-beta-D-glucopyranoside
Formula:	C12 H15 I O4 S2
SMILES:	C1(C(CO)OC(C(C1O)O)Sc2ccc(cc2)I)S
InChi:	InChI=1S/C12H15IO4S2/c13-6-1-3-7(4-2-6)19-12-10(16)9(15)11(18)8(5-14)17-12/h1-4,8-12,14-16,18H,5H2/t8-,9-,10-,11-,12+/m1/s1
Definition date:	2020-06-21
Last modified:	2020-07-17
Release date:	2020-07-01
Identifier:	4-iodophenyl 1,4-dithio-beta-D-glucopyranoside

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