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GCQ
GCQ
Name:GEMCITABINE DIPHOSPHATE
Formula:C9 H13 F2 N3 O10 P2
SMILES:O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(F)(F)C2O
InChi:InChI=1S/C9H13F2N3O10P2/c10-9(11)6(15)4(3-22-26(20,21)24-25(17,18)19)23-7(9)14-2-1-5(12)13-8(14)16/h1-2,4,6-7,15H,3H2,(H,20,21)(H2,12,13,16)(H2,17,18,19)/t4-,6-,7-/m1/s1
Synonyms:((2R,3R,5R)-5-(4-AMINO-2-OXOPYRIMIDIN-1(2H)-YL)-4,4-DIFLUORO-3-HYDROXYTETRAHYDROFURAN-2-YL)METHYL TRIHYDROGEN DIPHOSPHATE
Definition date:2005-11-22
Last modified:2020-06-17
Identifier:2'-deoxy-2',2'-difluorocytidine 5'-(trihydrogen diphosphate)
1JB
1JB
Name:[[(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3R,4S,5R,6R)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate
Formula:C16 H26 N2 O15 P2
SMILES:O=C1C(=CN(C(=O)N1)C2OC(C(O)C2)COP(=O)(OP(=O)(OC3OC(C(O)C(O)C3O)C)O)O)C
InChi:InChI=1S/C16H26N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-13,15,19-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/t7-,8+,9-,10-,11+,12+,13-,15-/m1/s1
Synonyms:dTDP-fucose
Definition date:2013-02-14
Last modified:2020-06-17
Release date:2013-05-22
Identifier:[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl (2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)
GCY
GCY
Name:N-[(2S,3R)-1-(beta-D-galactopyranosyloxy)-3-hydroxyoctadec-4-en-2-yl]tetracosanamide
Formula:C48 H93 N O8
SMILES:O=C(NC(COC1OC(C(O)C(O)C1O)CO)C(O)/C=C/CCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCC
InChi:InChI=1S/C48H93NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(40-56-48-47(55)46(54)45(53)43(39-50)57-48)42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h35,37,41-43,45-48,50-51,53-55H,3-34,36,38-40H2,1-2H3,(H,49,52)/b37-35+/t41-,42+,43+,45-,46-,47+,48+/m0/s1
Synonyms:beta-Galactosylceramide, Ceramide beta-D-galactoside
Definition date:2011-08-25
Last modified:2020-06-17
Identifier:N-[(2S,3R,4E)-1-(beta-D-galactopyranosyloxy)-3-hydroxyoctadec-4-en-2-yl]tetracosanamide
POV
POV
Name:(2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
Formula:C42 H82 N O8 P
SMILES:O=C(OCC(OC(=O)CCCCCCCC=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C)CCCCCCCCCCCCCCC
InChi:InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3/b21-20-/t40-/m0/s1
Synonyms:POPC
Definition date:2010-03-17
Last modified:2020-06-17
Identifier:(2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
POY
POY
Name:3-methyl-1-(5-oxohexyl)-7-propyl-3,7-dihydro-1H-purine-2,6-dione
Formula:C15 H22 N4 O3
SMILES:O=C2c1n(cnc1N(C(=O)N2CCCCC(=O)C)C)CCC
InChi:InChI=1S/C15H22N4O3/c1-4-8-18-10-16-13-12(18)14(21)19(15(22)17(13)3)9-6-5-7-11(2)20/h10H,4-9H2,1-3H3
Synonyms:Propentofylline
Definition date:2010-12-21
Last modified:2020-06-17
Identifier:3-methyl-1-(5-oxohexyl)-7-propyl-3,7-dihydro-1H-purine-2,6-dione
PP3
PP3
Name:ALANYL-PYRIDOXAL-5'-PHOSPHATE
Formula:C11 H17 N2 O7 P
SMILES:O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)C
InChi:InChI=1S/C11H17N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3,7,13-14H,4-5H2,1-2H3,(H,15,16)(H2,17,18,19)/t7-/m0/s1
Synonyms:PYRIDOXYL-ALANINE-5-PHOSPHATE
Definition date:1999-08-12
Last modified:2020-06-17
Identifier:N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-alanine
GDE
GDE
Name:3,4,5-trihydroxybenzoic acid
Formula:C7 H6 O5
SMILES:O=C(O)c1cc(O)c(O)c(O)c1
InChi:InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)
Synonyms:Gallate
Definition date:2011-11-08
Last modified:2020-06-17
Release date:2013-05-22
Identifier:3,4,5-trihydroxybenzoic acid
GDG
GDG
Name:GDP-ALPHA-D-GLUCOSE
Formula:C16 H25 N5 O16 P2
SMILES:C1(C(O)C(C(C(O1)CO)O)O)OP(OP(OCC4C(C(C(n2cnc3c2NC(=NC3=O)N)O4)O)O)(O)=O)(O)=O
InChi:InChI=1S/C16H25N5O16P2/c17-16-19-12-6(13(28)20-16)18-3-21(12)14-10(26)8(24)5(34-14)2-33-38(29,30)37-39(31,32)36-15-11(27)9(25)7(23)4(1-22)35-15/h3-5,7-11,14-15,22-27H,1-2H2,(H,29,30)(H,31,32)(H3,17,19,20,28)/t4-,5-,7-,8-,9+,10-,11-,14-,15-/m1/s1
Synonyms:GDP-ALPHA-D-GLUCOSE
Definition date:2006-09-05
Last modified:2020-06-17
Release date:2017-06-21
Identifier:[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)
PPD
PPD
Name:2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYLENE)-AMINO]-SUCCINIC ACID
Formula:C12 H17 N2 O9 P
SMILES:O=C(O)CC(C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O
InChi:InChI=1S/C12H17N2O9P/c1-6-11(17)8(4-14-9(12(18)19)2-10(15)16)7(3-13-6)5-23-24(20,21)22/h3,9,14,17H,2,4-5H2,1H3,(H,15,16)(H,18,19)(H2,20,21,22)/t9-/m0/s1
Synonyms:PYRIDOXYL-ASPARTIC ACID-5-MONOPHOSPHATE
Definition date:1999-07-08
Last modified:2020-06-17
Identifier:N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-aspartic acid
PPE
PPE
Name:4-[(1,3-DICARBOXY-PROPYLAMINO)-METHYL]-3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDINIUM
Formula:C13 H20 N2 O9 P
SMILES:O=C(O)C(NCc1c(c[nH+]c(c1O)C)COP(=O)(O)O)CCC(=O)O
InChi:InChI=1S/C13H19N2O9P/c1-7-12(18)9(8(4-14-7)6-24-25(21,22)23)5-15-10(13(19)20)2-3-11(16)17/h4,10,15,18H,2-3,5-6H2,1H3,(H,16,17)(H,19,20)(H2,21,22,23)/p+1/t10-/m0/s1
Synonyms:PYRIDOXYL-GLUTAMIC ACID-5'-MONOPHOSPHATE
Definition date:1999-07-08
Last modified:2020-06-17
Identifier:N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridinium-4-yl}methyl)-L-glutamic acid
PPQ
PPQ
Name:PHOSPHINOTHRICIN
Formula:C5 H12 N O4 P
SMILES:O=P(O)(C)CCC(C(=O)O)N
InChi:InChI=1S/C5H12NO4P/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10)/t4-/m0/s1
Synonyms:2-AMINO-4-(HYDROXYMETHYL-PHOSPHINYL)BUTANOIC ACID
Definition date:2000-09-27
Last modified:2020-06-17
Identifier:(2S)-2-amino-4-[(R)-hydroxy(methyl)phosphoryl]butanoic acid
PQ0
PQ0
Name:2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDINE-5-CARBONITRILE
Formula:C7 H5 N5 O
SMILES:N#Cc1cnc2N=C(NC(=O)c12)N
InChi:InChI=1S/C7H5N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,(H4,9,10,11,12,13)
Synonyms:7-DEAZA-7-CYANO-GUANINE
Definition date:2002-01-22
Last modified:2020-06-17
Identifier:2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
PQ2
PQ2
Name:3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13,20,24-hexahydroporphyrin-2,7,1 2,18-tetrayl]tetrapropanoic acid
Formula:C42 H48 N4 O16
SMILES:N3=C4C=C5C(C(C(=Cc1nc(c(CCC(O)=O)c1CC(O)=O)Cc2c(c(c(n2)C=C3C(C4(CC(=O)O)C)CCC(O)=O)CC(O)=O)CCC(O)=O)N5)(C)CC(O)=O)CCC(O)=O
InChi:InChI=1S/C42H48N4O16/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29/h14-16,23-24,43-44,46H,3-13,17-18H2,1-2H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)/b29-14-,30-16-,31-15-/t23?,24?,41-,42-/m0/s1
Synonyms:Precorrin-2
Definition date:2019-06-20
Last modified:2020-06-17
Release date:2020-03-04
Identifier:3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13,20,24-hexahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoic acid
GEK
GEK
Name:(2S)-4-[{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(carboxylatomethyl)sulfonio] -2-ammoniobutanoate
Formula:C16 H22 N6 O7 S
SMILES:[O-]C(=O)C[S+](CCC(C([O-])=O)[NH3+])CC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:InChI=1S/C16H22N6O7S/c17-7(16(27)28)1-2-30(4-9(23)24)3-8-11(25)12(26)15(29-8)22-6-21-10-13(18)19-5-20-14(10)22/h5-8,11-12,15,25-26H,1-4,17H2,(H3-,18,19,20,23,24,27,28)/t7-,8+,11+,12+,15+,30-/m0/s1
Synonyms:CARBOXY-S-ADENOSYLMETHIONINE
Definition date:2012-08-29
Last modified:2020-06-17
Identifier:(2S)-4-[{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(carboxylatomethyl)sulfonio]-2-ammoniobutanoate
GEM
GEM
Name:(2-GUANIDINOETHYLMERCAPTO)SUCCINIC ACID
Formula:C7 H13 N3 O4 S
SMILES:O=C(O)C(SCCNC(=[N@H])N)CC(=O)O
InChi:InChI=1S/C7H13N3O4S/c8-7(9)10-1-2-15-4(6(13)14)3-5(11)12/h4H,1-3H2,(H,11,12)(H,13,14)(H4,8,9,10)/t4-/m0/s1
Synonyms:2-GUANIDINOETHYLTHIO)SUCCINIC ACID
Definition date:2001-02-12
Last modified:2020-06-17
Identifier:(2S)-2-[(2-carbamimidamidoethyl)sulfanyl]butanedioic acid
PQE
PQE
Name:3,6,12,15,18,21,24-HEPTAOXAHEXATRIACONTAN-1-OL
Formula:C29 H60 O8
SMILES:O(CCCCCOCCOCCO)CCOCCOCCOCCOCCCCCCCCCCCC
InChi:InChI=1S/C29H60O8/c1-2-3-4-5-6-7-8-9-10-12-16-31-21-24-35-26-28-37-29-27-36-25-22-33-18-14-11-13-17-32-20-23-34-19-15-30/h30H,2-29H2,1H3
Synonyms:ANAPOE-C12E8
Definition date:2006-11-07
Last modified:2020-06-17
Identifier:3,6,12,15,18,21,24-heptaoxahexatriacontan-1-ol
GEN
GEN
Name:GENISTEIN
Formula:C15 H10 O5
SMILES:O=C1c3c(OC=C1c2ccc(O)cc2)cc(O)cc3O
InChi:InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
Synonyms:5,7-DIHYDROXY-3-(4-HYDROXYPHENYL)-4H-1-BENZOPYRAN-4-ONE
Definition date:1999-07-28
Last modified:2020-06-17
Identifier:5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one
GEO
GEO
Name:GEMCITABINE
Formula:C9 H11 F2 N3 O4
SMILES:O=C1N=C(N)C=CN1C2OC(C(O)C2(F)F)CO
InChi:InChI=1S/C9H11F2N3O4/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17)/t4-,6-,7-/m1/s1
Synonyms:2',2'-DIFLUORODEOXYCYTIDINE
Definition date:2003-04-29
Last modified:2020-06-17
Identifier:2'-deoxy-2',2'-difluorocytidine
PQJ
PQJ
Name:fos-choline-14
Formula:C19 H43 N O4 P
SMILES:CCCCCCCCCCCCCCO[P](O)(=O)OCC[N](C)(C)C
InChi:InChI=1S/C19H43NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-18-23-25(21,22)24-19-17-20(2,3)4/h5-19H2,1-4H3,(H,21,22)
Synonyms:tetradecyl 2-(trimethyl-$l^{4}-azanyl)ethyl hydrogen phosphate
Definition date:2019-08-21
Last modified:2020-06-17
Release date:2020-03-25
Identifier:tetradecyl 2-(trimethyl-$l^{4}-azanyl)ethyl hydrogen phosphate
GEV
GEV
Name:(5Z)-5-({4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl}methylidene)-1,3-thiazolidine-2,4-dione
Formula:C23 H18 N2 O4 S
SMILES:c4ccc(c3nc(CCC(c2ccc(C=C1C(NC(=O)S1)=O)cc2)=O)c(C)o3)cc4
InChi:InChI=1S/C23H18N2O4S/c1-14-18(24-22(29-14)17-5-3-2-4-6-17)11-12-19(26)16-9-7-15(8-10-16)13-20-21(27)25-23(28)30-20/h2-10,13H,11-12H2,1H3,(H,25,27,28)
Synonyms:Darglitazone
Definition date:2018-05-18
Last modified:2020-06-17
Release date:2019-05-22
Identifier:(5Z)-5-({4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl}methylidene)-1,3-thiazolidine-2,4-dione
PQN
PQN
Name:PHYLLOQUINONE
Formula:C31 H46 O2
SMILES:O=C2c1c(cccc1)C(=O)C(=C2C)CC=C(/C)CCCC(C)CCCC(C)CCCC(C)C
InChi:InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1
Synonyms:VITAMIN K1
Definition date:1999-07-08
Last modified:2020-06-17
Identifier:2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]naphthalene-1,4-dione
PR1
PR1
Name:4-HYDROXY-3-[2-OXO-3-(THIENO[3,2-B]PYRIDINE-2-SULFONYLAMINO)-PYRROLIDIN-1-YLMETHYL]-BENZAMIDINE
Formula:C19 H19 N5 O4 S2
SMILES:O=C2N(Cc1cc(C(=[N@H])N)ccc1O)CCC2NS(=O)(=O)c4sc3cccnc3c4
InChi:InChI=1S/C19H19N5O4S2/c20-18(21)11-3-4-15(25)12(8-11)10-24-7-5-13(19(24)26)23-30(27,28)17-9-14-16(29-17)2-1-6-22-14/h1-4,6,8-9,13,23,25H,5,7,10H2,(H3,20,21)/t13-/m0/s1
Synonyms:RPR131247
Definition date:2000-05-22
Last modified:2020-06-17
Identifier:4-hydroxy-3-({(3S)-2-oxo-3-[(thieno[3,2-b]pyridin-2-ylsulfonyl)amino]pyrrolidin-1-yl}methyl)benzenecarboximidamide
PR2
PR2
Name:THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [2-OXO-1-(1H-PYRROLO[2,3-C]PYRIDIN-2-YLMETHYL)-PYRROLIDIN-3-YL]-AMIDE
Formula:C19 H17 N5 O3 S2
SMILES:O=C3N(Cc2cc1ccncc1n2)CCC3NS(=O)(=O)c5sc4cccnc4c5
InChi:InChI=1S/C19H17N5O3S2/c25-19-14(23-29(26,27)18-9-15-17(28-18)2-1-5-21-15)4-7-24(19)11-13-8-12-3-6-20-10-16(12)22-13/h1-3,5-6,8-10,14,22-23H,4,7,11H2/t14-/m0/s1
Synonyms:RPR208707
Definition date:2000-05-22
Last modified:2020-06-17
Identifier:N-[(3S)-2-oxo-1-(1H-pyrrolo[2,3-c]pyridin-2-ylmethyl)pyrrolidin-3-yl]thieno[3,2-b]pyridine-2-sulfonamide
GFN
GFN
Name:1-cyclopropyl-6-fluoro-8-methoxy-7-[(3S)-3-methylpiperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Formula:C19 H22 F N3 O4
SMILES:CC4CN(c2c(F)cc1C(C(=CN(c1c2OC)C3CC3)C(O)=O)=O)CCN4
InChi:InChI=1S/C19H22FN3O4/c1-10-8-22(6-5-21-10)16-14(20)7-12-15(18(16)27-2)23(11-3-4-11)9-13(17(12)24)19(25)26/h7,9-11,21H,3-6,8H2,1-2H3,(H,25,26)/t10-/m0/s1
Synonyms:Gatifloxacin
Definition date:2015-06-04
Last modified:2020-06-17
Release date:2016-03-02
Identifier:1-cyclopropyl-6-fluoro-8-methoxy-7-[(3S)-3-methylpiperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
PRI
PRI
Name:PYRROLIDINE-2-CARBALDEHYDE
Formula:C5 H9 N O
SMILES:O=CC1NCCC1
InChi:InChI=1S/C5H9NO/c7-4-5-2-1-3-6-5/h4-6H,1-3H2/t5-/m0/s1
Synonyms:PROLINOL
Definition date:2001-05-14
Last modified:2020-06-17
Identifier:(2S)-pyrrolidine-2-carbaldehyde

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