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PDB Info pages Status search Chemie search: 35774 results BIRD

XLS

XLS
Name:	D-xylose
Formula:	C5 H10 O5
SMILES:	O=CC(O)C(O)C(O)CO
InChi:	InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4+,5+/m0/s1
Synonyms:	D-XYLOSE (LINEAR FORM)
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	D-xylose

ACX

ACX
Name:	ALPHA-CYCLODEXTRIN (CYCLOHEXA-AMYLOSE)
Formula:	C36 H60 O30
SMILES:	O1C7C(O)C(O)C(OC6C(O)C(O)C(OC5C(O)C(O)C(OC4C(O)C(O)C(OC3C(O)C(O)C(OC2C(OC1C(O)C2O)CO)OC3CO)OC4CO)OC5CO)OC6CO)OC7CO
InChi:	InChI=1S/C36H60O30/c37-1-7-25-13(43)19(49)31(55-7)62-26-8(2-38)57-33(21(51)15(26)45)64-28-10(4-40)59-35(23(53)17(28)47)66-30-12(6-42)60-36(24(54)18(30)48)65-29-11(5-41)58-34(22(52)16(29)46)63-27-9(3-39)56-32(61-25)20(50)14(27)44/h7-54H,1-6H2/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-/m1/s1
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25,30-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.2~3,6~.2~8,11~.2~13,16~.2~18,21~.2~23,26~]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol (non-preferred name)

JLT

JLT
Name:	3,7-anhydro-1,2,8-trideoxy-1,8-diphosphono-D-glycero-D-gulo-octitol
Formula:	C8 H18 O10 P2
SMILES:	O[CH]1[CH](O)[CH](CC[P](O)(O)=O)O[CH](C[P](O)(O)=O)[CH]1O
InChi:	InChI=1S/C8H18O10P2/c9-6-4(1-2-19(12,13)14)18-5(3-20(15,16)17)7(10)8(6)11/h4-11H,1-3H2,(H2,12,13,14)(H2,15,16,17)/t4-,5+,6-,7+,8+/m0/s1
Synonyms:	[(2~{S},3~{S},4~{R},5~{R},6~{S})-3,4,5-tris(oxidanyl)-6-(2-phosphonoethyl)oxan-2-yl]methylphosphonic acid
Definition date:	2019-03-11
Last modified:	2020-07-17
Release date:	2020-04-01
Identifier:	[(2~{S},3~{S},4~{R},5~{R},6~{S})-3,4,5-tris(oxidanyl)-6-(2-phosphonoethyl)oxan-2-yl]methylphosphonic acid

SQG

SQG
Name:	2-cyano-~{N}-[4-(trifluoromethyloxy)phenyl]ethanamide
Formula:	C10 H7 F3 N2 O2
SMILES:	FC(F)(F)Oc1ccc(NC(=O)CC#N)cc1
InChi:	InChI=1S/C10H7F3N2O2/c11-10(12,13)17-8-3-1-7(2-4-8)15-9(16)5-6-14/h1-4H,5H2,(H,15,16)
Definition date:	2020-03-11
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	2-cyano-~{N}-[4-(trifluoromethyloxy)phenyl]ethanamide

Z0F

Z0F
Name:	alpha-L-idopyranose
Formula:	C6 H12 O6
SMILES:	OC1C(O)C(OC(O)C1O)CO
InChi:	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4-,5+,6+/m0/s1
Synonyms:	alpha-L-idose
Definition date:	2012-12-18
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	alpha-L-idopyranose

ULV

ULV
Name:	4-{8-amino-3-[(6R,8aS)-3-oxohexahydro-3H-[1,3]oxazolo[3,4-a]pyridin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
Formula:	C26 H22 F3 N7 O3
SMILES:	n1c(c2c(nc(n2cc1)C3CCC4N(C3)C(OC4)=O)c6ccc(C(=O)Nc5nccc(C(F)(F)F)c5)cc6)N
InChi:	InChI=1S/C26H22F3N7O3/c27-26(28,29)17-7-8-31-19(11-17)33-24(37)15-3-1-14(2-4-15)20-21-22(30)32-9-10-35(21)23(34-20)16-5-6-18-13-39-25(38)36(18)12-16/h1-4,7-11,16,18H,5-6,12-13H2,(H2,30,32)(H,31,33,37)/t16-,18+/m1/s1
Definition date:	2020-05-22
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	4-{8-amino-3-[(6R,8aS)-3-oxohexahydro-3H-[1,3]oxazolo[3,4-a]pyridin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide

IDR

IDR
Name:	alpha-L-idopyranuronic acid
Formula:	C6 H10 O7
SMILES:	O=C(O)C1OC(O)C(O)C(O)C1O
InChi:	InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4+,6+/m0/s1
Synonyms:	alpha-L-iduronic acid
Definition date:	2000-12-12
Last modified:	2020-07-17
Identifier:	alpha-L-idopyranuronic acid

SQM

SQM
Name:	4-benzamido-2-methyl-pyrazole-3-carboxamide
Formula:	C12 H12 N4 O2
SMILES:	Cn1ncc(NC(=O)c2ccccc2)c1C(N)=O
InChi:	InChI=1S/C12H12N4O2/c1-16-10(11(13)17)9(7-14-16)15-12(18)8-5-3-2-4-6-8/h2-7H,1H3,(H2,13,17)(H,15,18)
Definition date:	2020-03-11
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	4-benzamido-2-methyl-pyrazole-3-carboxamide

IDS

IDS
Name:	2-O-sulfo-alpha-L-idopyranuronic acid
Formula:	C6 H10 O10 S
SMILES:	O=S(=O)(OC1C(O)C(O)C(OC1O)C(=O)O)O
InChi:	InChI=1S/C6H10O10S/c7-1-2(8)4(16-17(12,13)14)6(11)15-3(1)5(9)10/h1-4,6-8,11H,(H,9,10)(H,12,13,14)/t1-,2-,3+,4+,6+/m0/s1
Synonyms:	O2-SULFO-GLUCURONIC ACID
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	2-O-sulfo-alpha-L-idopyranuronic acid

ULY

ULY
Name:	4-{8-amino-3-[(6R,8aS)-3-oxo-3,5,6,7,8,8a-hexahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-methoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
Formula:	C28 H26 F3 N7 O3
SMILES:	n1ccn2c(c1N)c(nc2C3CN4C(CC3)CCC4=O)c5ccc(cc5OC)C(Nc6nccc(c6)C(F)(F)F)=O
InChi:	InChI=1S/C28H26F3N7O3/c1-41-20-12-15(27(40)35-21-13-17(8-9-33-21)28(29,30)31)3-6-19(20)23-24-25(32)34-10-11-37(24)26(36-23)16-2-4-18-5-7-22(39)38(18)14-16/h3,6,8-13,16,18H,2,4-5,7,14H2,1H3,(H2,32,34)(H,33,35,40)/t16-,18+/m1/s1
Definition date:	2020-05-22
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	4-{8-amino-3-[(6R,8aS)-3-oxooctahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-methoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide

SQP

SQP
Name:	2-(4-aminophenyl)benzoic acid
Formula:	C13 H11 N O2
SMILES:	Nc1ccc(cc1)c2ccccc2C(O)=O
InChi:	InChI=1S/C13H11NO2/c14-10-7-5-9(6-8-10)11-3-1-2-4-12(11)13(15)16/h1-8H,14H2,(H,15,16)
Definition date:	2020-03-11
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	2-(4-aminophenyl)benzoic acid

IDU

IDU
Name:	2-O-sulfo-beta-L-altropyranuronic acid
Formula:	C6 H10 O10 S
SMILES:	O=C(O)C1OC(O)C(OS(=O)(=O)O)C(O)C1O
InChi:	InChI=1S/C6H10O10S/c7-1-2(8)4(16-17(12,13)14)6(11)15-3(1)5(9)10/h1-4,6-8,11H,(H,9,10)(H,12,13,14)/t1-,2+,3-,4-,6+/m1/s1
Synonyms:	2-O-sulfo-beta-L-altruronic acid
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	2-O-sulfo-beta-L-altropyranuronic acid

ADA

ADA
Name:	alpha-D-galactopyranuronic acid
Formula:	C6 H10 O7
SMILES:	O=C(O)C1OC(O)C(O)C(O)C1O
InChi:	InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3+,4-,6-/m0/s1
Synonyms:	alpha-D-galacturonic acid
Definition date:	2002-04-08
Last modified:	2020-07-17
Identifier:	alpha-D-galactopyranuronic acid

KFN

KFN
Name:	2,6-anhydro-3-deoxy-D-glycero-D-galacto-non-2-enonic acid
Formula:	C9 H14 O8
SMILES:	OC[CH](O)[CH](O)[CH]1OC(=C[CH](O)[CH]1O)C(O)=O
InChi:	InChI=1S/C9H14O8/c10-2-4(12)7(14)8-6(13)3(11)1-5(17-8)9(15)16/h1,3-4,6-8,10-14H,2H2,(H,15,16)/t3-,4+,6+,7+,8+/m0/s1
Synonyms:	(4S,5R,6R)-4,5-DIHYDROXY-6-[(1R,2R)-1,2,3-TRIHYDROXYPROPYL]-5,6-DIHYDRO-4H-PYRAN-2-CARBOXYLIC ACID
Definition date:	2010-11-26
Last modified:	2020-07-17
Identifier:	(4S,5R,6R)-4,5-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-5,6-dihydro-4H-pyran-2-carboxylic acid

IDX

IDX
Name:	2-O-sulfo-alpha-L-gulopyranuronic acid
Formula:	C6 H10 O10 S
SMILES:	O=S(=O)(OC1C(O)C(O)C(OC1O)C(=O)O)O
InChi:	InChI=1S/C6H10O10S/c7-1-2(8)4(16-17(12,13)14)6(11)15-3(1)5(9)10/h1-4,6-8,11H,(H,9,10)(H,12,13,14)/t1-,2-,3+,4-,6+/m0/s1
Synonyms:	2-O-sulfo-alpha-L-guluronic acid
Definition date:	2008-06-13
Last modified:	2020-07-17
Identifier:	2-O-sulfo-alpha-L-gulopyranuronic acid

Z15

Z15
Name:	(1S)-1,5-anhydro-1-(4-chloro-2,5-dihydroxyphenyl)-D-glucitol
Formula:	C12 H15 Cl O7
SMILES:	Clc1c(O)cc(c(O)c1)C2OC(CO)C(O)C(O)C2O
InChi:	InChI=1S/C12H15ClO7/c13-5-2-6(15)4(1-7(5)16)12-11(19)10(18)9(17)8(3-14)20-12/h1-2,8-12,14-19H,3H2/t8-,9-,10+,11-,12+/m1/s1
Definition date:	2010-07-01
Last modified:	2020-07-17
Identifier:	(1S)-1,5-anhydro-1-(4-chloro-2,5-dihydroxyphenyl)-D-glucitol

UM4

UM4
Name:	4-{8-amino-3-[(6R,8aS)-3-oxooctahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-(cyclopropyloxy)-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
Formula:	C30 H28 F3 N7 O3
SMILES:	n1c(c2c(nc(n2cc1)C3CCC4N(C3)C(CC4)=O)c6ccc(C(Nc5nccc(C(F)(F)F)c5)=O)cc6OC7CC7)N
InChi:	InChI=1S/C30H28F3N7O3/c31-30(32,33)18-9-10-35-23(14-18)37-29(42)16-2-7-21(22(13-16)43-20-5-6-20)25-26-27(34)36-11-12-39(26)28(38-25)17-1-3-19-4-8-24(41)40(19)15-17/h2,7,9-14,17,19-20H,1,3-6,8,15H2,(H2,34,36)(H,35,37,42)/t17-,19+/m1/s1
Definition date:	2020-05-22
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	4-{8-amino-3-[(6R,8aS)-3-oxooctahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-(cyclopropyloxy)-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide

IDY

IDY
Name:	1-O-methyl-2-O-sulfo-alpha-L-idopyranuronic acid
Formula:	C7 H12 O10 S
SMILES:	O=C(O)C1OC(OC)C(OS(=O)(=O)O)C(O)C1O
InChi:	InChI=1S/C7H12O10S/c1-15-7-5(17-18(12,13)14)3(9)2(8)4(16-7)6(10)11/h2-5,7-9H,1H3,(H,10,11)(H,12,13,14)/t2-,3-,4+,5+,7+/m0/s1
Synonyms:	methyl 2-O-sulfo-alpha-L-idopyranosiduronic acid
Definition date:	2011-11-03
Last modified:	2020-07-17
Release date:	2012-11-23
Identifier:	methyl 2-O-sulfo-alpha-L-idopyranosiduronic acid

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

Z16

Z16
Name:	(1S)-1,5-anhydro-1-(3-chloro-2,5-dihydroxyphenyl)-D-glucitol
Formula:	C12 H15 Cl O7
SMILES:	Clc1cc(O)cc(c1O)C2OC(CO)C(O)C(O)C2O
InChi:	InChI=1S/C12H15ClO7/c13-6-2-4(15)1-5(8(6)16)12-11(19)10(18)9(17)7(3-14)20-12/h1-2,7,9-12,14-19H,3H2/t7-,9-,10+,11-,12+/m1/s1
Definition date:	2010-07-01
Last modified:	2020-07-17
Identifier:	(1S)-1,5-anhydro-1-(3-chloro-2,5-dihydroxyphenyl)-D-glucitol

X6X

X6X
Name:	2-amino-2-deoxy-alpha-D-galactopyranose
Formula:	C6 H13 N O5
SMILES:	OC1C(OC(C(C1O)N)O)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:	alpha-D-galactosamine
Definition date:	2015-06-03
Last modified:	2020-07-17
Release date:	2015-06-10
Identifier:	2-amino-2-deoxy-alpha-D-galactopyranose

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

W9T

W9T
Name:	4-O-beta-D-galactopyranosyl-beta-D-fructofuranose
Formula:	C12 H22 O11
SMILES:	OC2C(OC1OC(CO)C(O)C(O)C1O)C(OC2(O)CO)CO
InChi:	InChI=1S/C12H22O11/c13-1-4-6(16)7(17)8(18)11(21-4)22-9-5(2-14)23-12(20,3-15)10(9)19/h4-11,13-20H,1-3H2/t4-,5-,6+,7+,8-,9-,10+,11+,12-/m1/s1
Definition date:	2013-04-23
Last modified:	2020-07-17
Release date:	2014-03-19
Identifier:	4-O-beta-D-galactopyranosyl-beta-D-fructofuranose

ISL

ISL
Name:	6-O-alpha-D-glucopyranosyl-D-fructose
Formula:	C12 H22 O11
SMILES:	O=C(CO)C(O)C(O)C(O)COC1OC(C(O)C(O)C1O)CO
InChi:	InChI=1S/C12H22O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h5-14,16-21H,1-3H2/t5-,6-,7-,8-,9-,10+,11-,12+/m1/s1
Synonyms:	6-O-alpha-D-glucosyl-D-fructose
Definition date:	2012-10-03
Last modified:	2020-07-17
Release date:	2013-09-25
Identifier:	6-O-alpha-D-glucopyranosyl-D-fructose

SR1

SR1
Name:	5-S-methyl-5-thio-alpha-D-ribofuranose
Formula:	C6 H12 O4 S
SMILES:	OC1C(OC(O)C1O)CSC
InChi:	InChI=1S/C6H12O4S/c1-11-2-3-4(7)5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4-,5-,6+/m1/s1
Synonyms:	5-S-methyl-5-thio-alpha-D-ribose
Definition date:	2005-03-31
Last modified:	2020-07-17
Identifier:	5-S-methyl-5-thio-alpha-D-ribofuranose

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