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UP6
UP6
Name:6-AZA URIDINE 5'-MONOPHOSPHATE
Formula:C8 H12 N3 O9 P
SMILES:O=C1N(N=CC(=O)N1)C2OC(C(O)C2O)COP(=O)(O)O
InChi:InChI=1S/C8H12N3O9P/c12-4-1-9-11(8(15)10-4)7-6(14)5(13)3(20-7)2-19-21(16,17)18/h1,3,5-7,13-14H,2H2,(H,10,12,15)(H2,16,17,18)/t3-,5-,6-,7-/m1/s1
Synonyms:6-AZA-UMP
Definition date:2000-02-02
Last modified:2020-06-17
Identifier:2-(5-O-phosphono-beta-D-ribofuranosyl)-1,2,4-triazine-3,5(2H,4H)-dione
UPF
UPF
Name:URIDINE-5'-DIPHOSPHATE-2-DEOXY-2-FLUOROGALACTOSE
Formula:C15 H23 F N2 O16 P2
SMILES:O=P(OC1OC(C(O)C(O)C1F)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O
InChi:InChI=1S/C15H23FN2O16P2/c16-8-11(23)9(21)5(3-19)32-14(8)33-36(28,29)34-35(26,27)30-4-6-10(22)12(24)13(31-6)18-2-1-7(20)17-15(18)25/h1-2,5-6,8-14,19,21-24H,3-4H2,(H,26,27)(H,28,29)(H,17,20,25)/t5-,6-,8-,9+,10-,11-,12-,13-,14-/m1/s1
Synonyms:URIDINE-5'-MONOPHOSPHATE 2-DEOXY-2-FLUORO-GALACTOPYRANOSYL-MONOPHOSPHATE ESTER
Definition date:2000-11-30
Last modified:2020-06-17
Identifier:[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4S,5R,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)
5RM
5RM
Name:(5R)-5-(4-methoxy-3-propoxyphenyl)-5-methyl-1,3-oxazolidin-2-one
Formula:C14 H19 N O4
SMILES:CCCOc1cc(ccc1OC)[C]2(C)CNC(=O)O2
InChi:InChI=1S/C14H19NO4/c1-4-7-18-12-8-10(5-6-11(12)17-3)14(2)9-15-13(16)19-14/h5-6,8H,4,7,9H2,1-3H3,(H,15,16)/t14-/m0/s1
Synonyms:(R)-MESOPRAM
Definition date:2004-11-17
Last modified:2020-06-17
Identifier:(5R)-5-(4-methoxy-3-propoxy-phenyl)-5-methyl-1,3-oxazolidin-2-one
UPL
UPL
Name:UNKNOWN BRANCHED FRAGMENT OF PHOSPHOLIPID
Formula:C34 H70
SMILES:C(CCCCCCCC(CCCCCCCCC)CCCCCCCCCCC)CCCCC
InChi:InChI=1S/C34H70/c1-4-7-10-13-16-18-19-21-24-27-30-33-34(31-28-25-22-15-12-9-6-3)32-29-26-23-20-17-14-11-8-5-2/h34H,4-33H2,1-3H3
Synonyms:UNKNOWN PHOSPHOLIPID FRAGMENT
Definition date:2002-06-13
Last modified:2020-06-17
Identifier:12-nonylpentacosane
5S7
5S7
Name:(2~{R},3~{R},4~{S},5~{S})-2-[2,6-bis(azanyl)purin-9-yl]-5-(methylsulfanylmethyl)oxolane-3,4-diol
Formula:C11 H16 N6 O3 S
SMILES:CSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)nc(N)nc23
InChi:InChI=1S/C11H16N6O3S/c1-21-2-4-6(18)7(19)10(20-4)17-3-14-5-8(12)15-11(13)16-9(5)17/h3-4,6-7,10,18-19H,2H2,1H3,(H4,12,13,15,16)/t4-,6-,7-,10-/m1/s1
Synonyms:2-amino-5'-deoxy-5'-(methylthio)adenosine
Definition date:2015-11-19
Last modified:2020-06-17
Release date:2016-12-21
Identifier:(2~{R},3~{R},4~{S},5~{S})-2-[2,6-bis(azanyl)purin-9-yl]-5-(methylsulfanylmethyl)oxolane-3,4-diol
UQ8
UQ8
Name:Ubiquinone-8
Formula:C49 H74 O4
SMILES:O=C1C(=C(C(=O)C(OC)=C1OC)C)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)C
InChi:InChI=1S/C49H74O4/c1-36(2)20-13-21-37(3)22-14-23-38(4)24-15-25-39(5)26-16-27-40(6)28-17-29-41(7)30-18-31-42(8)32-19-33-43(9)34-35-45-44(10)46(50)48(52-11)49(53-12)47(45)51/h20,22,24,26,28,30,32,34H,13-19,21,23,25,27,29,31,33,35H2,1-12H3/b37-22+,38-24+,39-26+,40-28+,41-30+,42-32+,43-34+
Synonyms:2,3-dimethoxy-5-methyl-6-[(6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-oc taen-1-yl]cyclohexa-2,5-diene-1,4-dione
Definition date:2008-08-21
Last modified:2020-06-17
Identifier:2,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]cyclohexa-2,5-diene-1,4-dione
UQ9
UQ9
Name:Ubiquinone-9
Formula:C54 H82 O4
SMILES:O=C1C(=C(C(=O)C(OC)=C1OC)C)CC=C(/C)CCC=C(/C)CCC=C(/C)CC/C=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CC/C=C(/C)CCC=C(/C)C
InChi:InChI=1S/C54H82O4/c1-40(2)22-14-23-41(3)24-15-25-42(4)26-16-27-43(5)28-17-29-44(6)30-18-31-45(7)32-19-33-46(8)34-20-35-47(9)36-21-37-48(10)38-39-50-49(11)51(55)53(57-12)54(58-13)52(50)56/h22,24,26,28,30,32,34,36,38H,14-21,23,25,27,29,31,33,35,37,39H2,1-13H3/b41-24-,42-26+,43-28+,44-30+,45-32-,46-34+,47-36+,48-38+
Synonyms:2,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14Z,18E,22E,26E,30Z)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18 ,22,26,30,34-nonaen-1-yl]cyclohexa-2,5-diene-1,4-dione
Definition date:2009-06-25
Last modified:2020-06-17
Identifier:2,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14Z,18E,22E,26E,30Z)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]cyclohexa-2,5-diene-1,4-dione
5SP
5SP
Name:5-O-phosphono-D-xylulose
Formula:C5 H11 O8 P
SMILES:O=P(OCC(O)C(O)C(=O)CO)(O)O
InChi:InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)/t4-,5-/m1/s1
Synonyms:D-xylulose 5-phosphate
Definition date:2010-03-12
Last modified:2020-06-17
Identifier:5-O-phosphono-D-xylulose
URB
URB
Name:5-bromopyrimidine-2,4(1H,3H)-dione
Formula:C4 H3 Br N2 O2
SMILES:BrC1=CNC(=O)NC1=O
InChi:InChI=1S/C4H3BrN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
Synonyms:5-bromouracil
Definition date:2008-04-25
Last modified:2020-06-17
Identifier:5-bromopyrimidine-2,4(1H,3H)-dione
URM
URM
Name:(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)methyl)phosphonic (((2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphoric) anhydride
Formula:C16 H26 N2 O16 P2
SMILES:OC[CH]1O[CH](C[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C16H26N2O16P2/c19-3-6-10(21)13(24)12(23)8(32-6)5-35(27,28)34-36(29,30)31-4-7-11(22)14(25)15(33-7)18-2-1-9(20)17-16(18)26/h1-2,6-8,10-15,19,21-25H,3-5H2,(H,27,28)(H,29,30)(H,17,20,26)/t6-,7-,8-,10+,11-,12+,13+,14-,15-/m1/s1
Synonyms:Uridine diphospho methylene galactopyranose
Definition date:2010-04-14
Last modified:2020-06-17
Identifier:[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]phosphinic acid
URN
URN
Name:5,6-DIAMINOPYRIMIDINE-2,4(1H,3H)-DIONE
Formula:C4 H6 N4 O2
SMILES:O=C1NC(N)=C(N)C(=O)N1
InChi:InChI=1S/C4H6N4O2/c5-1-2(6)7-4(10)8-3(1)9/h5H2,(H4,6,7,8,9,10)
Synonyms:5,6-DIAMINOURACIL
Definition date:2004-11-02
Last modified:2020-06-17
Identifier:5,6-diaminopyrimidine-2,4(1H,3H)-dione
5VC
5VC
Name:4-(3-chloranyl-2-fluoranyl-phenoxy)-1-[[6-(1,3-thiazol-2-ylamino)pyridin-2-yl]methyl]cyclohexane-1-carboxylic acid
Formula:C22 H21 Cl F N3 O3 S
SMILES:OC(=O)[C]1(CC[CH](CC1)Oc2cccc(Cl)c2F)Cc3cccc(Nc4sccn4)n3
InChi:InChI=1S/C22H21ClFN3O3S/c23-16-4-2-5-17(19(16)24)30-15-7-9-22(10-8-15,20(28)29)13-14-3-1-6-18(26-14)27-21-25-11-12-31-21/h1-6,11-12,15H,7-10,13H2,(H,28,29)(H,25,26,27)/t15-,22-
Synonyms:MK-5108
Definition date:2015-12-08
Last modified:2020-06-17
Release date:2016-01-20
Identifier:4-(3-chloranyl-2-fluoranyl-phenoxy)-1-[[6-(1,3-thiazol-2-ylamino)pyridin-2-yl]methyl]cyclohexane-1-carboxylic acid
UU3
UU3
Name:(5R)-5-[(1S)-1,2-bis(oxidanyl)ethyl]oxolane-2,3,4-trione
Formula:C6 H6 O6
SMILES:O=C1C(=O)OC(C1=O)C(O)CO
InChi:InChI=1S/C6H6O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8H,1H2/t2-,5+/m0/s1
Synonyms:Dehydroascorbic Acid
Definition date:2014-10-15
Last modified:2020-06-17
Release date:2017-03-22
Identifier:(5R)-5-[(1S)-1,2-dihydroxyethyl]furan-2,3,4(5H)-trione (non-preferred name)
5W3
5W3
Name:~{N}-[2-[[6-chloranyl-3-[3-(2-hydroxyethylsulfamoyl)-4-methoxy-phenyl]-2-methyl-imidazo[1,2-b]pyridazin-8-yl]amino]ethy l]ethanamide
Formula:C20 H25 Cl N6 O5 S
SMILES:COc1ccc(cc1[S](=O)(=O)NCCO)c2n3nc(Cl)cc(NCCNC(C)=O)c3nc2C
InChi:InChI=1S/C20H25ClN6O5S/c1-12-19(14-4-5-16(32-3)17(10-14)33(30,31)24-8-9-28)27-20(25-12)15(11-18(21)26-27)23-7-6-22-13(2)29/h4-5,10-11,23-24,28H,6-9H2,1-3H3,(H,22,29)
Synonyms:MI364
Definition date:2015-12-14
Last modified:2020-06-17
Release date:2016-12-28
Identifier:~{N}-[2-[[6-chloranyl-3-[3-(2-hydroxyethylsulfamoyl)-4-methoxy-phenyl]-2-methyl-imidazo[1,2-b]pyridazin-8-yl]amino]ethyl]ethanamide
5WB
5WB
Name:5-[(3S)-3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
Formula:C18 H22 N4 O4
SMILES:C(#CC(OC)c1cc(OC)c(OC)c(OC)c1)c2c(nc(nc2C)N)N
InChi:InChI=1S/C18H22N4O4/c1-10-12(17(19)22-18(20)21-10)6-7-13(23-2)11-8-14(24-3)16(26-5)15(9-11)25-4/h8-9,13H,1-5H3,(H4,19,20,21,22)/t13-/m1/s1
Synonyms:(S)-2,4-diamino-5-(3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-ynyl)-6-methylpyrimidine
Definition date:2009-09-22
Last modified:2020-06-17
Identifier:5-[(3S)-3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
5WN
5WN
Name:3-[(sulfamoylamino)methyl]-1-benzothiophene
Formula:C9 H10 N2 O2 S2
SMILES:N[S](=O)(=O)NCc1csc2ccccc12
InChi:InChI=1S/C9H10N2O2S2/c10-15(12,13)11-5-7-6-14-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H2,10,12,13)
Synonyms:JNJ-26990990
Definition date:2015-12-16
Last modified:2020-06-17
Release date:2016-05-18
Identifier:3-[(sulfamoylamino)methyl]-1-benzothiophene
5Y0
5Y0
Name:N-[(2S)-2,3-bis(oxidanyl)propoxy]-3,4-bis(fluoranyl)-2-[(2-fluoranyl-4-iodanyl-phenyl)amino]benzamide
Formula:C16 H14 F3 I N2 O4
SMILES:O=C(NOCC(O)CO)c1c(c(F)c(F)cc1)Nc2ccc(I)cc2F
InChi:InChI=1S/C16H14F3IN2O4/c17-11-3-2-10(16(25)22-26-7-9(24)6-23)15(14(11)19)21-13-4-1-8(20)5-12(13)18/h1-5,9,21,23-24H,6-7H2,(H,22,25)/t9-/m0/s1
Synonyms:N-(2,3-DIHYDROXYPROPOXY)-3,4-DIFLUORO-2-[(2-FLUORO-4-IODOPHENYL)AMINO]BENZAMIDE
Definition date:2012-03-15
Last modified:2020-06-17
Release date:2012-12-14
Identifier:N-{[(2S)-2,3-dihydroxypropyl]oxy}-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide
60C
60C
Name:(C_{60}-I_{h})[5,6]fullerene
Formula:C60
SMILES:c12c3C4=C5c1c6c7c8c2c9c%10c3C%11=C%12c%10c%13c%14c9c8c%15c%16c7C%17=C6C%18=C5c%19c%20C4=C%11c%21c%20c%22c%23c%19c%18c%24C%17=C%25C%16=C%26c%15c%14C%27=C%13C%28=C%12c%21c%29c%22c%30c%23c%24c%25c%31C%26=C%27c(c%28%29)c%30%31
InChi:InChI=1S/C60/c1-2-5-6-3(1)8-12-10-4(1)9-11-7(2)17-21-13(5)23-24-14(6)22-18(8)28-20(12)30-26-16(10)15(9)25-29-19(11)27(17)37-41-31(21)33(23)43-44-34(24)32(22)42-38(28)48-40(30)46-36(26)35(25)45-39(29)47(37)55-49(41)51(43)57-52(44)50(42)56(48)59-54(46)53(45)58(55)60(57)59
Synonyms:buckminsterfullerene, buckyball
Definition date:2015-11-18
Last modified:2020-06-17
Release date:2016-05-04
Identifier:(C_{60}-I_{h})[5,6]fullerene
612
612
Name:6-(cyclohexylsulfanyl)-1-(ethoxymethyl)-5-(1-methylethyl)pyrimidine-2,4(1H,3H)-dione
Formula:C16 H26 N2 O3 S
SMILES:O=C2C(=C(SC1CCCCC1)N(C(=O)N2)COCC)C(C)C
InChi:InChI=1S/C16H26N2O3S/c1-4-21-10-18-15(22-12-8-6-5-7-9-12)13(11(2)3)14(19)17-16(18)20/h11-12H,4-10H2,1-3H3,(H,17,19,20)
Synonyms:TNK-6123
Definition date:1999-07-26
Last modified:2020-06-17
Identifier:6-(cyclohexylsulfanyl)-1-(ethoxymethyl)-5-(1-methylethyl)pyrimidine-2,4(1H,3H)-dione
61M
61M
Name:3-(2-aminophenyl)-3-oxopropanoic acid
Formula:C9 H9 N O3
SMILES:C(C(O)=O)C(c1ccccc1N)=O
InChi:InChI=1S/C9H9NO3/c10-7-4-2-1-3-6(7)8(11)5-9(12)13/h1-4H,5,10H2,(H,12,13)
Synonyms:2-aminobenzoylacetate
Definition date:2016-01-13
Last modified:2020-06-17
Release date:2016-04-27
Identifier:3-(2-aminophenyl)-3-oxopropanoic acid
61N
61N
Name:6-hydroxynaphthalene-1-carboxylic acid
Formula:C11 H8 O3
SMILES:O=C(O)c1cccc2c1ccc(O)c2
InChi:InChI=1S/C11H8O3/c12-8-4-5-9-7(6-8)2-1-3-10(9)11(13)14/h1-6,12H,(H,13,14)
Synonyms:6-HYDROXY-1-NAPHTHOIC ACID
Definition date:2013-08-22
Last modified:2020-06-17
Release date:2013-09-04
Identifier:6-hydroxynaphthalene-1-carboxylic acid
61W
61W
Name:3-(4-methylphenyl)-5-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1,2-oxazole
Formula:C18 H22 N2 O
SMILES:c2(cc(c1ccc(C)cc1)no2)C3=CCCN(CCC)C3
InChi:InChI=1S/C18H22N2O/c1-3-10-20-11-4-5-16(13-20)18-12-17(19-21-18)15-8-6-14(2)7-9-15/h5-9,12H,3-4,10-11,13H2,1-2H3
Synonyms:PD144418
Definition date:2016-01-14
Last modified:2020-06-17
Release date:2016-04-06
Identifier:5-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-propyl-1,2,3,6-tetrahydropyridine
A12
A12
Name:PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER
Formula:C11 H17 N5 O9 P2
SMILES:O=P(O)(O)CP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:InChI=1S/C11H17N5O9P2/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(25-11)1-24-27(22,23)4-26(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1
Synonyms:ALPHA,BETA-METHYLENEADENOSINE-5'-DIPHOSPHATE
Definition date:2000-12-15
Last modified:2020-06-17
Identifier:5'-O-[(S)-hydroxy(phosphonomethyl)phosphoryl]adenosine
A1E
A1E
Name:(5R)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN-9-YLAMINO)DECYL]AMINO}-5,6,7,8-TETRAHYDROQUINOLIN-2(1H)-ONE
Formula:C32 H44 N4 O
SMILES:O=C1C=CC2=C(N1)CCCC2NCCCCCCCCCCNc3c5ccccc5nc4c3CCCC4
InChi:InChI=1S/C32H44N4O/c37-31-21-20-24-27(18-13-19-28(24)36-31)33-22-11-5-3-1-2-4-6-12-23-34-32-25-14-7-9-16-29(25)35-30-17-10-8-15-26(30)32/h7,9,14,16,20-21,27,33H,1-6,8,10-13,15,17-19,22-23H2,(H,34,35)(H,36,37)/t27-/m1/s1
Synonyms:(R)-N-9 -(1 ,2 ,3 ,4 -TETRAHYDROACRIDINYL)-N'-5 -[5 ,6 ,7 ,8 -TETRAHYDRO-2'(1'H)-QUINOLINONYL]-1,10-DIAMINODECANE
Definition date:2005-04-29
Last modified:2020-06-17
Identifier:(5R)-5-{[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]amino}-5,6,7,8-tetrahydroquinolin-2(1H)-one
A1S
A1S
Name:isopentyl-Coenzyme A
Formula:C26 H46 N7 O16 P3 S
SMILES:C(SCCNC(CCNC(C(C(COP(OP(OCC3C(OP(O)(O)=O)C(O)C(n1cnc2c(ncnc12)N)O3)(O)=O)(O)=O)(C)C)O)=O)=O)CC(C)C
InChi:InChI=1S/C26H46N7O16P3S/c1-15(2)6-9-53-10-8-28-17(34)5-7-29-24(37)21(36)26(3,4)12-46-52(43,44)49-51(41,42)45-11-16-20(48-50(38,39)40)19(35)25(47-16)33-14-32-18-22(27)30-13-31-23(18)33/h13-16,19-21,25,35-36H,5-12H2,1-4H3,(H,28,34)(H,29,37)(H,41,42)(H,43,44)(H2,27,30,31)(H2,38,39,40)/t16-,19-,20-,21+,25-/m1/s1
Synonyms:isopentyl-CoA
Definition date:2017-07-05
Last modified:2020-06-17
Release date:2017-08-23
Identifier:[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(3-methylbutyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl dihydrogen diphosphate (non-preferred name)

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數據於2025-11-19公開中

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