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2FE
2FE
Name:2'-fluoro-2'-deoxy-1,N6-ethenoadenine
Formula:C12 H13 F N5 O6 P
SMILES:O=P(O)(O)OCC4OC(n3cnc1c3ncn2ccnc12)C(F)C4O
InChi:InChI=1S/C12H13FN5O6P/c13-7-9(19)6(3-23-25(20,21)22)24-12(7)18-5-15-8-10-14-1-2-17(10)4-16-11(8)18/h1-2,4-7,9,12,19H,3H2,(H2,20,21,22)/t6-,7+,9-,12-/m1/s1
Synonyms:3-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-3H-imidazo[2,1-i]purine
Definition date:2008-04-28
Last modified:2020-06-17
Identifier:3-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-3H-imidazo[2,1-i]purine
2FI
2FI
Name:2'-fluoro-2'-deoxyinosine
Formula:C10 H12 F N4 O7 P
SMILES:O=C1c2ncn(c2N=CN1)C3OC(C(O)C3F)COP(=O)(O)O
InChi:InChI=1S/C10H12FN4O7P/c11-5-7(16)4(1-21-23(18,19)20)22-10(5)15-3-14-6-8(15)12-2-13-9(6)17/h2-5,7,10,16H,1H2,(H,12,13,17)(H2,18,19,20)/t4-,5+,7-,10-/m1/s1
Synonyms:9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-1,9-dihydro-6H-purin-6-one
Definition date:2008-04-28
Last modified:2020-06-17
Identifier:9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-1,9-dihydro-6H-purin-6-one
2G6
2G6
Name:P-((((benzyloxy)carbonyl)amino)methyl)-N-((S)-1-((3,3-dimethylbutyl)amino)-4-methyl-1-oxopentan-2-yl)phosphonamidic acid
Formula:C21 H36 N3 O5 P
SMILES:O=C(NCCC(C)(C)C)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C
InChi:InChI=1S/C21H36N3O5P/c1-16(2)13-18(19(25)22-12-11-21(3,4)5)24-30(27,28)15-23-20(26)29-14-17-9-7-6-8-10-17/h6-10,16,18H,11-15H2,1-5H3,(H,22,25)(H,23,26)(H2,24,27,28)/t18-/m0/s1
Synonyms:N~2~-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(3,3-dimethylbutyl)-L-leucinamide
Definition date:2013-10-11
Last modified:2020-06-17
Release date:2014-04-02
Identifier:N~2~-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(3,3-dimethylbutyl)-L-leucinamide
2G8
2G8
Name:P-((((benzyloxy)carbonyl)amino)methyl)-N-((S)-4-methyl-1-oxo-1-(propylamino)pentan-2-yl)phosphonamidic acid
Formula:C18 H30 N3 O5 P
SMILES:O=C(NCCC)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C
InChi:InChI=1S/C18H30N3O5P/c1-4-10-19-17(22)16(11-14(2)3)21-27(24,25)13-20-18(23)26-12-15-8-6-5-7-9-15/h5-9,14,16H,4,10-13H2,1-3H3,(H,19,22)(H,20,23)(H2,21,24,25)/t16-/m0/s1
Synonyms:N~2~-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-propyl-L-leucinamide
Definition date:2013-10-11
Last modified:2020-06-17
Release date:2014-04-02
Identifier:N~2~-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-propyl-L-leucinamide
2G9
2G9
Name:P-((((benzyloxy)carbonyl)amino)methyl)-N-((S)-4-methyl-1-(((S)-2-methylbutyl)amino)-1-oxopentan- 2-yl)phosphonamidic acid
Formula:C20 H34 N3 O5 P
SMILES:O=C(NCC(C)CC)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C
InChi:InChI=1S/C20H34N3O5P/c1-5-16(4)12-21-19(24)18(11-15(2)3)23-29(26,27)14-22-20(25)28-13-17-9-7-6-8-10-17/h6-10,15-16,18H,5,11-14H2,1-4H3,(H,21,24)(H,22,25)(H2,23,26,27)/t16-,18-/m0/s1
Synonyms:N~2~-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-[(2S)-2-methylbutyl]-L-leucinamide
Definition date:2013-10-11
Last modified:2020-06-17
Release date:2014-04-02
Identifier:N~2~-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-[(2S)-2-methylbutyl]-L-leucinamide
2GZ
2GZ
Name:P-((((benzyloxy)carbonyl)amino)methyl)-N-((S)-4-methyl-1-(neopentylamino)-1-oxopentan-2-yl)phosphonamidic acid
Formula:C20 H34 N3 O5 P
SMILES:O=C(NCC(C)(C)C)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C
InChi:InChI=1S/C20H34N3O5P/c1-15(2)11-17(18(24)21-13-20(3,4)5)23-29(26,27)14-22-19(25)28-12-16-9-7-6-8-10-16/h6-10,15,17H,11-14H2,1-5H3,(H,21,24)(H,22,25)(H2,23,26,27)/t17-/m0/s1
Synonyms:N~2~-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(2,2-dimethylpropyl)-L-leucinamide
Definition date:2013-10-17
Last modified:2020-06-17
Release date:2014-04-02
Identifier:N~2~-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(2,2-dimethylpropyl)-L-leucinamide
2H3
2H3
Name:(1r,2r,3r,4r,5r,6r)-cyclohexane-1,2,3,4,5,6-hexol
Formula:C6 H12 O6
SMILES:OC1C(O)C(O)C(O)C(O)C1O
InChi:InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3+,4+,5-,6-
Synonyms:scyllo-inositol
Definition date:2013-10-18
Last modified:2020-06-17
Release date:2015-04-15
Identifier:(1r,2r,3r,4r,5r,6r)-cyclohexane-1,2,3,4,5,6-hexol
2HB
2HB
Name:N-(5-{4-[(1,1-dioxidothiomorpholin-4-yl)methyl]phenyl}[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide
Formula:C21 H23 N5 O3 S
SMILES:O=S5(=O)CCN(Cc4ccc(c2cccc1nc(nn12)NC(=O)C3CC3)cc4)CC5
InChi:InChI=1S/C21H23N5O3S/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27)
Synonyms:G146034
Definition date:2014-03-28
Last modified:2020-06-17
Release date:2014-11-19
Identifier:N-(5-{4-[(1,1-dioxidothiomorpholin-4-yl)methyl]phenyl}[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide
2HC
2HC
Name:(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID
Formula:C9 H8 O3
SMILES:O=C(O)/C=C/c1ccccc1O
InChi:InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+
Synonyms:TRANS-2-HYDROXYCINNAMIC ACID
Definition date:2003-12-22
Last modified:2020-06-17
Identifier:(2E)-3-(2-hydroxyphenyl)prop-2-enoic acid
2K2
2K2
Name:PKC412
Formula:C35 H30 N4 O4
SMILES:O=C(c1ccccc1)N(C9C(OC)C8(OC(n6c5c3n8c2ccccc2c3c4c(C(=O)NC4)c5c7ccccc67)C9)C)C
InChi:InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1
Synonyms:N-[(5S,6R,7R,9R)-6-methoxy-5-methyl-14-oxo-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonon a[1,2,3,4-jkl]cyclopenta[e]-as-indacen-7-yl]-N-methylbenzamide
Definition date:2013-11-13
Last modified:2020-06-17
Release date:2015-04-01
Identifier:N-[(5S,6R,7R,9R)-6-methoxy-5-methyl-14-oxo-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-7-yl]-N-methylbenzamide
2KZ
2KZ
Name:2-amino maleic acid
Formula:C4 H5 N O4
SMILES:O=C(O)C=C(N)C(=O)O
InChi:InChI=1S/C4H5NO4/c5-2(4(8)9)1-3(6)7/h1H,5H2,(H,6,7)(H,8,9)/b2-1+
Synonyms:(2E)-2-aminobut-2-enedioic acid
Definition date:2014-04-11
Last modified:2020-06-17
Release date:2015-03-11
Identifier:(2E)-2-aminobut-2-enedioic acid
G6V
G6V
Name:2,2-dichloro-N-({(5S)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide
Formula:C16 H18 Cl2 F N3 O4
SMILES:c2(N1CC(CNC(=O)C(Cl)Cl)OC1=O)cc(c(cc2)N3CCOCC3)F
InChi:InChI=1S/C16H18Cl2FN3O4/c17-14(18)15(23)20-8-11-9-22(16(24)26-11)10-1-2-13(12(19)7-10)21-3-5-25-6-4-21/h1-2,7,11,14H,3-6,8-9H2,(H,20,23)/t11-/m0/s1
Synonyms:oxazolidinone antibiotic LZD-5
Definition date:2018-05-10
Last modified:2020-06-17
Release date:2019-03-20
Identifier:2,2-dichloro-N-({(5S)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide
G6X
G6X
Name:2-{6-[(4aS,6R,8aS)-6-hydroxy-3-methoxy-5,6,9,10-tetrahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-11(12H)-yl]hexyl}-1 ,2-benzisothiazol-3(2H)-one 1,1-dioxide
Formula:C29 H34 N2 O6 S
SMILES:O=C2c1ccccc1S(=O)(=O)N2CCCCCCN5Cc6c3c(OC4CC(O)C=CC34CC5)c(OC)cc6
InChi:InChI=1S/C29H34N2O6S/c1-36-23-11-10-20-19-30(17-14-29-13-12-21(32)18-25(29)37-27(23)26(20)29)15-6-2-3-7-16-31-28(33)22-8-4-5-9-24(22)38(31,34)35/h4-5,8-13,21,25,32H,2-3,6-7,14-19H2,1H3/t21-,25-,29-/m0/s1
Synonyms:2-[6-[(4aS,6R,8aS)-4a,5,9,10-tetrahydro-6-hydroxy-3-methoxy-6H-benzofuro[3a,3,2-ef][2]benzazepin-11(12H)-yl]hexyl]-1,2- benzisothiazol-3(2H)-one 1,1-dioxide
Definition date:2009-07-10
Last modified:2020-06-17
Identifier:2-{6-[(4aS,6R,8aS)-6-hydroxy-3-methoxy-5,6,9,10-tetrahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-11(12H)-yl]hexyl}-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
G8A
G8A
Name:ethyl 2-{[(4-iodo-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate
Formula:C15 H15 I N4 O6 S
SMILES:c1(nc(nc(OC)c1)NC(=O)NS(c2ccccc2C(OCC)=O)(=O)=O)I
InChi:InChI=1S/C15H15IN4O6S/c1-3-26-13(21)9-6-4-5-7-10(9)27(23,24)20-15(22)19-14-17-11(16)8-12(18-14)25-2/h4-8H,3H2,1-2H3,(H2,17,18,19,20,22)
Synonyms:iodomuron methyl
Definition date:2018-05-14
Last modified:2020-06-17
Release date:2018-09-26
Identifier:ethyl 2-{[(4-iodo-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate
G8D
G8D
Name:[(2R,3S,4R,5R)-5-[2-azanyl-6,8-bis(oxidanylidene)-1,7-dihydropurin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate
Formula:C10 H15 N5 O12 P2
SMILES:NC1=NC2=C(NC(=O)N2[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O)C(=O)N1
InChi:InChI=1S/C10H15N5O12P2/c11-9-13-6-3(7(18)14-9)12-10(19)15(6)8-5(17)4(16)2(26-8)1-25-29(23,24)27-28(20,21)22/h2,4-5,8,16-17H,1H2,(H,12,19)(H,23,24)(H2,20,21,22)(H3,11,13,14,18)/t2-,4-,5-,8-/m1/s1
Synonyms:8-oxoguanosine-5'-diphosphate
Definition date:2016-06-17
Last modified:2020-06-17
Release date:2017-04-19
Identifier:[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-6,8-bis(oxidanylidene)-1,7-dihydropurin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate
G9P
G9P
Name:(11bR)-3-oxo-1,2,3,11b-tetrahydrochromeno[4,3,2-de]isoquinoline-10-sulfonic acid
Formula:C15 H11 N O5 S
SMILES:O[S](=O)(=O)c1ccc2Oc3cccc4C(=O)NC[CH](c2c1)c34
InChi:InChI=1S/C15H11NO5S/c17-15-9-2-1-3-13-14(9)11(7-16-15)10-6-8(22(18,19)20)4-5-12(10)21-13/h1-6,11H,7H2,(H,16,17)(H,18,19,20)/t11-/m1/s1
Synonyms:1,11b-Dihydro-[1]benzopyrano[4,3,2-de]isoquinolin-3(2H)-one-10-sulphonic acid
Definition date:2009-11-03
Last modified:2020-06-17
GA3
GA3
Name:GIBBERELLIN A3
Formula:C19 H22 O6
SMILES:O=C(O)C5C21CC(O)(C(=C)C1)CCC2C34OC(=O)C(C)(C(O)C=C3)C45
InChi:InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16-,17+,18+,19-/m1/s1
Synonyms:(1S,2S,4aR,4bR,7S,9aS,10S,10aR)-2,7-dihydroxy-1-methyl-8-methylidene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epo xymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid
Definition date:2008-09-04
Last modified:2020-06-17
Identifier:(1S,2S,4aR,4bR,7S,9aS,10S,10aR)-2,7-dihydroxy-1-methyl-8-methylidene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid
GAB
GAB
Name:3-AMINOBENZOIC ACID
Formula:C7 H7 N O2
SMILES:O=C(O)c1cc(N)ccc1
InChi:InChI=1S/C7H7NO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H,9,10)
Synonyms:GABACULINE
Definition date:1999-07-08
Last modified:2020-06-17
Identifier:3-aminobenzoic acid
GAJ
GAJ
Name:N-TETRAZOL-5-YL 9-OXO-9H-XANTHENE-2 SULPHONAMIDE
Formula:C14 H9 N5 O4 S
SMILES:O=S(=O)(/N=C1/NN=NN1)c3cc2C(=O)c4c(Oc2cc3)cccc4
InChi:InChI=1S/C14H9N5O4S/c20-13-9-3-1-2-4-11(9)23-12-6-5-8(7-10(12)13)24(21,22)17-14-15-18-19-16-14/h1-7H,(H2,15,16,17,18,19)
Synonyms:N-(1,4-DIHYDRO-5H-TETRAZOL-5-YLIDENE)-9-OXO-9H-XANTHENE-2-SULFONAMIDE
Definition date:2005-10-24
Last modified:2020-06-17
Identifier:N-(1,4-dihydro-5H-tetrazol-5-ylidene)-9-oxo-9H-xanthene-2-sulfonamide
GB5
GB5
Name:(2E)-3-(4-CHLOROPHENYL)-N-HYDROXYACRYLAMIDE
Formula:C9 H8 Cl N O2
SMILES:Clc1ccc(/C=C/C(=O)NO)cc1
InChi:InChI=1S/C9H8ClNO2/c10-8-4-1-7(2-5-8)3-6-9(12)11-13/h1-6,13H,(H,11,12)/b6-3+
Synonyms:4-CHLOROCINNAMYLHYDROXAMATE
Definition date:2006-10-05
Last modified:2020-06-17
Identifier:(2E)-3-(4-chlorophenyl)-N-hydroxyprop-2-enamide
GBN
GBN
Name:[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACID
Formula:C9 H17 N O2
SMILES:O=C(O)CC1(CN)CCCCC1
InChi:InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12)
Synonyms:GABAPENTIN
Definition date:2005-05-19
Last modified:2020-06-17
Identifier:[1-(aminomethyl)cyclohexyl]acetic acid
GCH
GCH
Name:GLYCOCHOLIC ACID
Formula:C26 H43 N O6
SMILES:O=C(O)CNC(=O)CCC(C3CCC2C1C(O)CC4CC(O)CCC4(C)C1CC(O)C23C)C
InChi:InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1
Synonyms:N-CHOLYLGLYCINE
Definition date:2000-03-09
Last modified:2020-06-17
Identifier:N-[(3beta,5beta,7beta,9beta,12beta)-3,7,12-trihydroxy-24-oxocholan-24-yl]glycine
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)
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
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

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