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2BS
2BS
Name:ethyl 2-amino-1,3-benzothiazole-6-carboxylate
Formula:C10 H10 N2 O2 S
SMILES:CCOC(=O)c1ccc2nc(N)sc2c1
InChi:InChI=1S/C10H10N2O2S/c1-2-14-9(13)6-3-4-7-8(5-6)15-10(11)12-7/h3-5H,2H2,1H3,(H2,11,12)
Synonyms:2-amino-benzothiazole-6-carboxylic acid ethyl ester
Definition date:2009-11-03
Last modified:2020-06-17
Identifier:ethyl 2-azanyl-1,3-benzothiazole-6-carboxylate
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
2BW
2BW
Name:(S)-(3-aminopropyl)(diethoxymethyl)phosphinic acid
Formula:C8 H20 N O4 P
SMILES:O=P(O)(CCCN)C(OCC)OCC
InChi:InChI=1S/C8H20NO4P/c1-3-12-8(13-4-2)14(10,11)7-5-6-9/h8H,3-7,9H2,1-2H3,(H,10,11)
Synonyms:CGP 35348
Definition date:2013-09-19
Last modified:2020-06-17
Release date:2013-12-11
Identifier:(S)-(3-aminopropyl)(diethoxymethyl)phosphinic acid
2BY
2BY
Name:phaclofen
Formula:C9 H13 Cl N O3 P
SMILES:Clc1ccc(cc1)C(CP(=O)(O)O)CN
InChi:InChI=1S/C9H13ClNO3P/c10-9-3-1-7(2-4-9)8(5-11)6-15(12,13)14/h1-4,8H,5-6,11H2,(H2,12,13,14)/t8-/m1/s1
Synonyms:[(2R)-3-amino-2-(4-chlorophenyl)propyl]phosphonic acid
Definition date:2013-09-19
Last modified:2020-06-17
Release date:2013-12-11
Identifier:[(2R)-3-amino-2-(4-chlorophenyl)propyl]phosphonic acid
2C0
2C0
Name:baclofen
Formula:C10 H12 Cl N O2
SMILES:Clc1ccc(cc1)C(CN)CC(=O)O
InChi:InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m0/s1
Synonyms:(3R)-4-amino-3-(4-chlorophenyl)butanoic acid
Definition date:2013-09-19
Last modified:2020-06-17
Release date:2013-12-11
Identifier:(3R)-4-amino-3-(4-chlorophenyl)butanoic acid
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
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
2CC
2CC
Name:3,4-bis(7-chloro-1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic acid
Formula:C22 H13 Cl2 N3 O4
SMILES:Clc1cccc2c1ncc2c5c(C(=O)O)nc(C(=O)O)c5c4c3cccc(Cl)c3nc4
InChi:InChI=1S/C22H13Cl2N3O4/c23-13-5-1-3-9-11(7-25-17(9)13)15-16(20(22(30)31)27-19(15)21(28)29)12-8-26-18-10(12)4-2-6-14(18)24/h1-8,25-27H,(H,28,29)(H,30,31)
Synonyms:11,11'-Dichlorochromopyrrolic Acid
Definition date:2009-04-13
Last modified:2020-06-17
Identifier:3,4-bis(7-chloro-1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic acid
2CU
2CU
Name:3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide
Formula:C19 H24 Cl N5 O3 S
SMILES:Clc2c(c3c(nc2OCC(=O)N1CCN(C)CC1)sc(c3N)C(=O)NC4CC4)C
InChi:InChI=1S/C19H24ClN5O3S/c1-10-13-15(21)16(17(27)22-11-3-4-11)29-19(13)23-18(14(10)20)28-9-12(26)25-7-5-24(2)6-8-25/h11H,3-9,21H2,1-2H3,(H,22,27)
Synonyms:LY2119620 positive allosteric modulator of M2/M4 receptor
Definition date:2013-09-20
Last modified:2020-06-17
Release date:2013-11-27
Identifier:3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide
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
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
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
2DI
2DI
Name:9-[(2R,5R)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-2-YL]-1,9-DIHYDRO-6H-PURIN-6-ONE
Formula:C10 H12 N4 O3
SMILES:O=C1c2ncn(c2N=CN1)C3OC(CC3)CO
InChi:InChI=1S/C10H12N4O3/c15-3-6-1-2-7(17-6)14-5-13-8-9(14)11-4-12-10(8)16/h4-7,15H,1-3H2,(H,11,12,16)/t6-,7+/m0/s1
Synonyms:2',3'-DIDEOXYINOSINE
Definition date:2003-11-11
Last modified:2020-06-17
Identifier:9-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,9-dihydro-6H-purin-6-one
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
2EL
2EL
Name:(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[2-(2-hydroxyethoxy)ethyl]sulfanyl}methyl)pyrrolidin-3- ol
Formula:C16 H25 N5 O3 S
SMILES:OCCOCCSCC3CN(Cc2cnc1c2ncnc1N)CC3O
InChi:InChI=1S/C16H25N5O3S/c17-16-15-14(19-10-20-16)11(5-18-15)6-21-7-12(13(23)8-21)9-25-4-3-24-2-1-22/h5,10,12-13,18,22-23H,1-4,6-9H2,(H2,17,19,20)/t12-,13+/m1/s1
Synonyms:DIETGLYCOL-THIO-DADME-IMMUCILLIN-A
Definition date:2012-05-09
Last modified:2020-06-17
Release date:2013-05-01
Identifier:(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[2-(2-hydroxyethoxy)ethyl]sulfanyl}methyl)pyrrolidin-3-ol
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
PRX
PRX
Name:ADENOSINE-5'-MONOPHOSPHATE-PROPYL ESTER
Formula:C13 H20 N5 O7 P
SMILES:OC1C(OC(COP(=O)(O)OCCC)C1O)n2cnc3c2ncnc3N
InChi:InChI=1S/C13H20N5O7P/c1-2-3-23-26(21,22)24-4-7-9(19)10(20)13(25-7)18-6-17-8-11(14)15-5-16-12(8)18/h5-7,9-10,13,19-20H,2-4H2,1H3,(H,21,22)(H2,14,15,16)/t7-,9-,10-,13-/m1/s1
Synonyms:ADENOSINE-5'-PROPYLPHOSPHATE
Definition date:2003-02-18
Last modified:2020-06-17
Identifier:5'-O-[(R)-hydroxy(propoxy)phosphoryl]adenosine
PS2
PS2
Name:O-[{[(2R)-2-{[(9S,10S)-9,10-DIBROMOOCTADECANOYL]OXY}-3-(PALMITOYLOXY)PROPYL]OXY}(HYDROXY)PHOSPHORYL]-L-SERINE
Formula:C40 H76 Br2 N O10 P
SMILES:O=C(OC(COP(=O)(OCC(C(=O)O)N)O)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCC(Br)C(Br)CCCCCCCC
InChi:InChI=1S/C40H76Br2NO10P/c1-3-5-7-9-11-12-13-14-15-16-17-21-25-29-38(44)50-31-34(32-51-54(48,49)52-33-37(43)40(46)47)53-39(45)30-26-22-18-20-24-28-36(42)35(41)27-23-19-10-8-6-4-2/h34-37H,3-33,43H2,1-2H3,(H,46,47)(H,48,49)/t34-,35+,36+,37+/m1/s1
Synonyms:DIBROMINATED PHOSPHATIDYLSERINE
Definition date:2006-07-07
Last modified:2020-06-17
Identifier:O-[(S)-{[(2R)-2-{[(9S,10S)-9,10-dibromooctadecanoyl]oxy}-3-(hexadecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine
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
PSF
PSF
Name:1,2-DICAPROYL-SN-PHOSPHATIDYL-L-SERINE
Formula:C18 H34 N O10 P
SMILES:O=C(OC(COP(=O)(OCC(C(=O)O)N)O)COC(=O)CCCCC)CCCCC
InChi:InChI=1S/C18H34NO10P/c1-3-5-7-9-16(20)26-11-14(29-17(21)10-8-6-4-2)12-27-30(24,25)28-13-15(19)18(22)23/h14-15H,3-13,19H2,1-2H3,(H,22,23)(H,24,25)/t14-,15+/m1/s1
Synonyms:PHOSPHATIDYLSERINE
Definition date:2000-01-12
Last modified:2020-06-17
Identifier:O-[(S)-{[(2R)-2,3-bis(hexanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine
PSM
PSM
Name:N-[DIHYDROXY(PROPYL)-LAMBDA~4~-SULFANYL]THREONYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}METHIONINAMIDE
Formula:C20 H33 N5 O5 S2
SMILES:O=S(=O)(NC(C(=O)NC(C(=O)NCc1ccc(cc1)C(=[N@H])N)CCSC)C(O)C)CCC
InChi:InChI=1S/C20H33N5O5S2/c1-4-11-32(29,30)25-17(13(2)26)20(28)24-16(9-10-31-3)19(27)23-12-14-5-7-15(8-6-14)18(21)22/h5-8,13,16-17,25-26H,4,9-12H2,1-3H3,(H3,21,22)(H,23,27)(H,24,28)/t13-,16-,17+/m0/s1
Synonyms:N-[1-(4-CARBAMIMIDOYL-BENZYLCARBAMOYL)-3-METHYLSULFANYL-PROPYL]-3-HYDROXY-2-PROPOXYAMINO-BUTYRAMID
Definition date:2004-10-14
Last modified:2020-06-17
Identifier:N-(propylsulfonyl)-D-threonyl-N-(4-carbamimidoylbenzyl)-L-methioninamide

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數據於2024-07-17公開中

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