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AGG
AGG
Name:TIROFIBAN
Formula:C22 H36 N2 O5 S
SMILES:O=S(=O)(NC(C(=O)O)Cc2ccc(OCCCCC1CCNCC1)cc2)CCCC
InChi:InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1
Synonyms:N-(BUTYLSULFONYL)-O-[4-(4-PIPERIDINYL)BUTYL]-L-TYROSINE
Definition date:2004-07-19
Last modified:2020-06-17
Identifier:N-(butylsulfonyl)-O-(4-piperidin-4-ylbutyl)-L-tyrosine
AGI
AGI
Name:5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
Formula:C15 H10 O5
SMILES:O=C1c3c(OC(=C1)c2ccc(O)cc2)cc(O)cc3O
InChi:InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
Synonyms:Apigenin
Definition date:2008-03-06
Last modified:2020-06-17
Identifier:5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
PDN
PDN
Name:17,21-DIHYDROXYPREGNA-1,4-DIENE-3,11,20-TRIONE
Formula:C21 H26 O5
SMILES:O=C2CC4(C(C3CCC1=CC(=O)C=CC1(C)C23)CCC4(O)C(O)=CO)C
InChi:InChI=1S/C21H26O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,11,14-15,18,22,25-26H,3-4,6,8,10H2,1-2H3/b17-11-/t14-,15-,18+,19-,20-,21-/m0/s1
Synonyms:PREDNISONE
Definition date:2001-06-04
Last modified:2020-06-17
Identifier:(8alpha,14beta,17alpha,20Z)-17,20,21-trihydroxypregna-1,4,20-triene-3,11-dione
AGS
AGS
Name:PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
Formula:C10 H16 N5 O12 P3 S
SMILES:O=P(O)(OP(=S)(O)O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:InChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-28(18,19)26-29(20,21)27-30(22,23)31/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,20,21)(H2,11,12,13)(H2,22,23,31)/t4-,6-,7-,10-/m1/s1
Synonyms:ATP-GAMMA-S
Definition date:1999-07-08
Last modified:2020-06-17
Identifier:5'-O-[(S)-hydroxy{[(S)-hydroxy(thiophosphonooxy)phosphoryl]oxy}phosphoryl]adenosine
PE1
PE1
Name:N~2~-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-L-LYSINE
Formula:C14 H24 N3 O7 P
SMILES:O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)CCCCN
InChi:InChI=1S/C14H24N3O7P/c1-9-13(18)11(10(6-16-9)8-24-25(21,22)23)7-17-12(14(19)20)4-2-3-5-15/h6,12,17-18H,2-5,7-8,15H2,1H3,(H,19,20)(H2,21,22,23)/t12-/m0/s1
Synonyms:PYRIDOXYL-GLUTAMIC ACID-5'-MONOPHOSPHATE
Definition date:2004-11-12
Last modified:2020-06-17
Identifier:N~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-lysine
PE3
PE3
Name:3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL
Formula:C28 H58 O15
SMILES:O(CCOCCOCCOCCOCCOCCOCCO)CCOCCOCCOCCOCCOCCOCCO
InChi:InChI=1S/C28H58O15/c29-1-3-31-5-7-33-9-11-35-13-15-37-17-19-39-21-23-41-25-27-43-28-26-42-24-22-40-20-18-38-16-14-36-12-10-34-8-6-32-4-2-30/h29-30H,1-28H2
Synonyms:POLYETHYLENE GLYCOL
Definition date:2004-11-04
Last modified:2020-06-17
Identifier:3,6,9,12,15,18,21,24,27,30,33,36,39-tridecaoxahentetracontane-1,41-diol
AH0
AH0
Name:2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID
Formula:C11 H17 N O7
SMILES:O=C(O)C(OC2C(O)C1OC(OC1)C2NC(=O)C)C
InChi:InChI=1S/C11H17NO7/c1-4(10(15)16)18-9-7(12-5(2)13)11-17-3-6(19-11)8(9)14/h4,6-9,11,14H,3H2,1-2H3,(H,12,13)(H,15,16)/t4-,6-,7-,8-,9-,11-/m1/s1
Synonyms:1,6-anhydro-N-acetylmuramic acid
Definition date:1999-07-08
Last modified:2020-06-17
Identifier:(2R)-2-{[(1R,2S,3R,4R,5R)-4-(acetylamino)-2-hydroxy-6,8-dioxabicyclo[3.2.1]oct-3-yl]oxy}propanoic acid (non-preferred name)
PE4
PE4
Name:2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL
Formula:C16 H34 O8
SMILES:O(CCOCCO)CCOCCOCCOCCOCCOCC
InChi:InChI=1S/C16H34O8/c1-2-18-5-6-20-9-10-22-13-14-24-16-15-23-12-11-21-8-7-19-4-3-17/h17H,2-16H2,1H3
Synonyms:POLYETHYLENE GLYCOL PEG4000
Definition date:2003-08-18
Last modified:2020-06-17
Identifier:3,6,9,12,15,18,21-heptaoxatricosan-1-ol
PEV
PEV
Name:(1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE
Formula:C39 H78 N O8 P
SMILES:O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(OCCN)O)CCCCCCCCCCCCCCC
InChi:InChI=1S/C39H78NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h37H,3-36,40H2,1-2H3,(H,43,44)/t37-/m0/s1
Synonyms:PHOSPHATIDYLETHANOLAMINE
Definition date:2006-07-06
Last modified:2020-06-17
Identifier:(1S)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl octadecanoate
PEW
PEW
Name:(1R)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (9S,10S)-9,10-DIBROMOOCTADECANOATE
Formula:C39 H76 Br2 N O8 P
SMILES:BrC(CCCCCCCC)C(Br)CCCCCCCC(=O)OC(COP(=O)(OCCN)O)COC(=O)CCCCCCCCCCCCCCC
InChi:InChI=1S/C39H76Br2NO8P/c1-3-5-7-9-11-12-13-14-15-16-17-21-25-29-38(43)47-33-35(34-49-51(45,46)48-32-31-42)50-39(44)30-26-22-18-20-24-28-37(41)36(40)27-23-19-10-8-6-4-2/h35-37H,3-34,42H2,1-2H3,(H,45,46)/t35-,36+,37+/m1/s1
Synonyms:DIBROMINATED PHOSPHATIDYLETHANOLAMINE
Definition date:2006-07-06
Last modified:2020-06-17
Identifier:(1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9S,10S)-9,10-dibromooctadecanoate
AI1
AI1
Name:N-BENZYL-3-(ALPHA-D-GALACTOS-1-YL)-BENZAMIDE
Formula:C20 H23 N O7
SMILES:O=C(NCc1ccccc1)c3cc(OC2OC(C(O)C(O)C2O)CO)ccc3
InChi:InChI=1S/C20H23NO7/c22-11-15-16(23)17(24)18(25)20(28-15)27-14-8-4-7-13(9-14)19(26)21-10-12-5-2-1-3-6-12/h1-9,15-18,20,22-25H,10-11H2,(H,21,26)/t15-,16+,17+,18-,20+/m1/s1
Synonyms:N-BENZYL-3-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-2-YLOXY)-BENZAMIDE
Definition date:2000-07-20
Last modified:2020-06-17
Identifier:N-benzyl-3-(alpha-D-galactopyranosyloxy)benzamide
PF3
PF3
Name:(2R)-3-({[4-[(PYRIDIN-4-YL)PHENYL]-THIEN-2-YL}CARBOXAMIDO)(PHENYL)PROPANOIC ACID
Formula:C25 H20 N2 O3 S
SMILES:O=C(O)CC(c1ccccc1)NC(=O)c4scc(c3ccc(c2ccncc2)cc3)c4
InChi:InChI=1S/C25H20N2O3S/c28-24(29)15-22(20-4-2-1-3-5-20)27-25(30)23-14-21(16-31-23)18-8-6-17(7-9-18)19-10-12-26-13-11-19/h1-14,16,22H,15H2,(H,27,30)(H,28,29)/t22-/m1/s1
Synonyms:PF-00356231
Definition date:2003-12-12
Last modified:2020-06-17
Identifier:(3R)-3-phenyl-3-({[4-(4-pyridin-4-ylphenyl)thiophen-2-yl]carbonyl}amino)propanoic acid
AI3
AI3
Name:2,3-DIMETHOXY-12H-[1,3]DIOXOLO[5,6]INDENO[1,2-C]ISOQUINOLIN-6-IUM
Formula:C19 H16 N O4
SMILES:O1c2c(OC1)cc5c(c2)c3c(c4c(c[nH+]3)cc(OC)c(OC)c4)C5
InChi:InChI=1S/C19H15NO4/c1-21-15-5-11-8-20-19-13-7-18-17(23-9-24-18)4-10(13)3-14(19)12(11)6-16(15)22-2/h4-8H,3,9H2,1-2H3/p+1
Synonyms:AI-III-52
Definition date:2004-10-06
Last modified:2020-06-17
Identifier:2,3-dimethoxy-12H-[1,3]dioxolo[5,6]indeno[1,2-c]isoquinolin-6-ium
AIC
AIC
Name:(2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID
Formula:C16 H19 N3 O4 S
SMILES:O=C(O)C2N3C(=O)C(NC(=O)C(c1ccccc1)N)C3SC2(C)C
InChi:InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1
Synonyms:AMPICILLIN
Definition date:2001-02-17
Last modified:2020-06-17
Identifier:(2S,5R,6R)-6-{[(2R)-2-amino-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
AIH
AIH
Name:(2S,3R)-2-(4-{2-[(3R,4R)-3,4-DIMETHYLPYRROLIDIN-1-YL]ETHOXY}PHENYL)-3-(4-HYDROXYPHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6- OL
Formula:C28 H31 N O4 S
SMILES:O2c5c(SC(c1ccc(O)cc1)C2c4ccc(OCCN3CC(C)C(C)C3)cc4)cc(O)cc5
InChi:InChI=1S/C28H31NO4S/c1-18-16-29(17-19(18)2)13-14-32-24-10-5-20(6-11-24)27-28(21-3-7-22(30)8-4-21)34-26-15-23(31)9-12-25(26)33-27/h3-12,15,18-19,27-28,30-31H,13-14,16-17H2,1-2H3/t18-,19-,27-,28+/m0/s1
Synonyms:COMPOUND 15
Definition date:2004-10-12
Last modified:2020-06-17
Identifier:(2S,3R)-2-(4-{2-[(3R,4R)-3,4-dimethylpyrrolidin-1-yl]ethoxy}phenyl)-3-(4-hydroxyphenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol
AIJ
AIJ
Name:(2S,3R)-3-(4-HYDROXYPHENYL)-2-(4-{[(2S)-2-PYRROLIDIN-1-YLPROPYL]OXY}PHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6-OL
Formula:C27 H29 N O4 S
SMILES:O2c5c(SC(c1ccc(O)cc1)C2c4ccc(OCC(N3CCCC3)C)cc4)cc(O)cc5
InChi:InChI=1S/C27H29NO4S/c1-18(28-14-2-3-15-28)17-31-23-11-6-19(7-12-23)26-27(20-4-8-21(29)9-5-20)33-25-16-22(30)10-13-24(25)32-26/h4-13,16,18,26-27,29-30H,2-3,14-15,17H2,1H3/t18-,26-,27+/m0/s1
Synonyms:COMPOUND 18
Definition date:2004-10-12
Last modified:2020-06-17
Identifier:(2S,3R)-3-(4-hydroxyphenyl)-2-(4-{[(2S)-2-pyrrolidin-1-ylpropyl]oxy}phenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol
PFM
PFM
Name:1-AMINO-7-(2-METHYL-3-OXIDO-5-((PHOSPHONOXY)METHYL)-4-PYRIDOXAL-5-OXO-6-HEPTENATE
Formula:C14 H19 N2 O8 P
SMILES:O=C(O)C(N)C/C=C(O)/C=C/c1c(cnc(c1O)C)COP(=O)(O)O
InChi:InChI=1S/C14H19N2O8P/c1-8-13(18)11(9(6-16-8)7-24-25(21,22)23)4-2-10(17)3-5-12(15)14(19)20/h2-4,6,12,17-18H,5,7,15H2,1H3,(H,19,20)(H2,21,22,23)/b4-2+,10-3-/t12-/m0/s1
Synonyms:PYRIDOXYLIDENE-PROPEN-1-YL-3-ALANINE-5-PHOSPHATE
Definition date:1999-07-08
Last modified:2020-06-17
Identifier:(2S,4Z,6E)-2-amino-5-hydroxy-7-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}hepta-4,6-dienoic acid
PFN
PFN
Name:FENOPROFEN
Formula:C15 H14 O3
SMILES:O=C(O)C(c2cc(Oc1ccccc1)ccc2)C
InChi:InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)/t11-/m1/s1
Synonyms:(2R)-2-(3-PHENOXYPHENYL)PROPANOIC ACID
Definition date:2010-02-26
Last modified:2020-06-17
Identifier:(2R)-2-(3-phenoxyphenyl)propanoic acid
PFS
PFS
Name:(2R)-2-(acetyloxy)-3-(hexadecyloxy)propyl 2-(trimethylammonio)ethyl phosphate
Formula:C26 H54 N O7 P
SMILES:[O-]P(=O)(OCC(OC(=O)C)COCCCCCCCCCCCCCCCC)OCC[N+](C)(C)C
InChi:InChI=1S/C26H54NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-31-23-26(34-25(2)28)24-33-35(29,30)32-22-20-27(3,4)5/h26H,6-24H2,1-5H3/t26-/m1/s1
Synonyms:PLATELET ACTIVATING FACTOR
Definition date:2004-07-15
Last modified:2020-06-17
Identifier:(2R)-2-(acetyloxy)-3-(hexadecyloxy)propyl 2-(trimethylammonio)ethyl phosphate
PFU
PFU
Name:(1S)-1,4-anhydro-1-(5-carbamoyl-4-hydroxy-1H-pyrazol-3-yl)-5-O-phosphono-D-ribitol
Formula:C9 H14 N3 O9 P
SMILES:O=C(N)c1c(O)c(nn1)C2OC(COP(=O)(O)O)C(O)C2O
InChi:InChI=1S/C9H14N3O9P/c10-9(16)4-6(14)3(11-12-4)8-7(15)5(13)2(21-8)1-20-22(17,18)19/h2,5,7-8,13-15H,1H2,(H2,10,16)(H,11,12)(H2,17,18,19)/t2-,5-,7-,8+/m1/s1
Synonyms:Pyrazofurin Monophosphate
Definition date:2010-04-13
Last modified:2020-06-17
Identifier:(1S)-1,4-anhydro-1-(5-carbamoyl-4-hydroxy-1H-pyrazol-3-yl)-5-O-phosphono-D-ribitol
AIX
AIX
Name:(2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Formula:C16 H21 N3 O4 S
SMILES:O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)C(c2ccccc2)N
InChi:InChI=1S/C16H21N3O4S/c1-16(2)12(15(22)23)19-14(24-16)10(8-20)18-13(21)11(17)9-6-4-3-5-7-9/h3-8,10-12,14,19H,17H2,1-2H3,(H,18,21)(H,22,23)/t10-,11-,12+,14-/m1/s1
Synonyms:AMPICILLIN (open form)
Definition date:2009-07-02
Last modified:2020-06-17
Identifier:(2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
PG2
PG2
Name:PROSTAGLANDIN D2
Formula:C20 H32 O5
SMILES:O=C1CC(O)C(CC=C/CCCC(=O)O)C1/C=C/C(O)CCCCC
InChi:InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-/m0/s1
Synonyms:(5E,13E)-9,15-DIHYDROXY-11-OXOPROSTA-5,13-DIEN-1-OIC ACID
Definition date:2004-01-06
Last modified:2020-06-17
Identifier:(5Z,9alpha,13E,15S)-9,15-dihydroxy-11-oxoprosta-5,13-dien-1-oic acid
AJA
AJA
Name:(6AR,10AR)-3-(1,1-DIMETHYLHEPTYL)-1-HYDROXY-6,6-DIMETHYL-6A,7,10,10A-TETRAHYDRO-6H-BENZO[C]CHROMENE-9-CARBOXYLIC ACID
Formula:C25 H36 O4
SMILES:O=C(O)C3=CCC1C(c2c(OC1(C)C)cc(cc2O)C(C)(C)CCCCCC)C3
InChi:InChI=1S/C25H36O4/c1-6-7-8-9-12-24(2,3)17-14-20(26)22-18-13-16(23(27)28)10-11-19(18)25(4,5)29-21(22)15-17/h10,14-15,18-19,26H,6-9,11-13H2,1-5H3,(H,27,28)/t18-,19-/m1/s1
Synonyms:AJULEMIC ACID
Definition date:2007-02-02
Last modified:2020-06-17
Identifier:(6aR,10aR)-3-(1,1-dimethylheptyl)-1-hydroxy-6,6-dimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromene-9-carboxylic acid
AJB
AJB
Name:2-amino-N-(4-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]benzamide
Formula:C14 H14 N6 O S2
SMILES:O=C(Nc1nc(cs1)C)c3cc(Sc2nncn2C)ccc3N
InChi:InChI=1S/C14H14N6OS2/c1-8-6-22-13(17-8)18-12(21)10-5-9(3-4-11(10)15)23-14-19-16-7-20(14)2/h3-7H,15H2,1-2H3,(H,17,18,21)
Synonyms:2-amino-5-(4-methyl-4H-[1,2,4]triazole-3-yl-sulfanyl)-N-(4-methyl-thiazole-2-yl)benzamide
Definition date:2009-01-08
Last modified:2020-06-17
Identifier:2-amino-N-(4-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]benzamide
PGG
PGG
Name:PARA-NITROPHENYLPHOSPHONOBUTANOYL-GLYCINE
Formula:C12 H15 N2 O8 P
SMILES:O=P(Oc1ccc(cc1)[N+]([O-])=O)(O)CCCC(=O)NCC(=O)O
InChi:InChI=1S/C12H15N2O8P/c15-11(13-8-12(16)17)2-1-7-23(20,21)22-10-5-3-9(4-6-10)14(18)19/h3-6H,1-2,7-8H2,(H,13,15)(H,16,17)(H,20,21)
Synonyms:N-PYRIDOXYL-3-[2-AMINO-ETHOXY-METHYLENE]ALANINE-5-MONOPHOSPHATE
Definition date:1999-09-13
Last modified:2020-06-17
Identifier:N-{4-[(R)-hydroxy(4-nitrophenoxy)phosphoryl]butanoyl}glycine

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