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PCK
PCK
表記:(7R,18S,19R)-18,19-DIBROMO-7-{[(9S,10S)-9,10-DIBROMOOCTADECANOYL]OXY}-4-HYDROXY-N,N,N-TRIMETHYL-10-OXO-3,5,9-TRIOXA-4-P HOSPHAHEPTACOSAN-1-AMINIUM 4-OXIDE
組成式:C44 H85 Br4 N O8 P
SMILES:BrC(CCCCCCCC)C(Br)CCCCCCCC(=O)OCC(OC(=O)CCCCCCCC(Br)C(Br)CCCCCCCC)COP(=O)(OCC[N+](C)(C)C)O
InChi:InChI=1S/C44H84Br4NO8P/c1-6-8-10-12-16-22-28-39(45)41(47)30-24-18-14-20-26-32-43(50)54-36-38(37-56-58(52,53)55-35-34-49(3,4)5)57-44(51)33-27-21-15-19-25-31-42(48)40(46)29-23-17-13-11-9-7-2/h38-42H,6-37H2,1-5H3/p+1/t38-,39-,40+,41+,42+/m1/s1
別名:TETRABROMINATED PHOSPHATIDYLCHOLINE
定義日:2006-06-30
最終更新日:2020-06-17
識別子（ID）:(4R,7R,18S,19R)-18,19-dibromo-7-{[(9S,10S)-9,10-dibromooctadecanoyl]oxy}-4-hydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacosan-1-aminium 4-oxide
PCP
PCP
表記:1-ALPHA-PYROPHOSPHORYL-2-ALPHA,3-ALPHA-DIHYDROXY-4-BETA-CYCLOPENTANE-METHANOL-5-PHOSPHATE
組成式:C6 H15 O13 P3
SMILES:O=P(OC1CC(C(O)C1O)COP(=O)(O)O)(O)OP(=O)(O)O
InChi:InChI=1S/C6H15O13P3/c7-5-3(2-17-20(9,10)11)1-4(6(5)8)18-22(15,16)19-21(12,13)14/h3-8H,1-2H2,(H,15,16)(H2,9,10,11)(H2,12,13,14)/t3-,4+,5-,6+/m1/s1
別名:CARBOXYLIC PRPP
定義日:1999-07-08
最終更新日:2020-06-17
識別子（ID）:(1S,2R,3R,4R)-2,3-dihydroxy-4-[(phosphonooxy)methyl]cyclopentyl trihydrogen diphosphate
AFS
AFS
表記:N-[(1R)-1-phosphonoethyl]-L-alaninamide
組成式:C5 H13 N2 O4 P
SMILES:O=C(NC(C)P(=O)(O)O)C(N)C
InChi:InChI=1S/C5H13N2O4P/c1-3(6)5(8)7-4(2)12(9,10)11/h3-4H,6H2,1-2H3,(H,7,8)(H2,9,10,11)/t3-,4+/m0/s1
別名:Alafosfalin
定義日:2013-01-17
最終更新日:2020-06-17
公開日:2013-07-10
識別子（ID）:N-[(1R)-1-phosphonoethyl]-L-alaninamide
PD1
PD1
表記:1-TERT-BUTYL-3-[6-(3,5-DIMETHOXY-PHENYL)-2-(4-DIETHYLAMINO-BUTYLAMINO)-PYRIDO[2,3-D]PYRIMIDIN-7-YL]-UREA
組成式:C28 H41 N7 O3
SMILES:O=C(NC(C)(C)C)Nc1nc3nc(ncc3cc1c2cc(OC)cc(OC)c2)NCCCCN(CC)CC
InChi:InChI=1S/C28H41N7O3/c1-8-35(9-2)13-11-10-12-29-26-30-18-20-16-23(19-14-21(37-6)17-22(15-19)38-7)25(31-24(20)32-26)33-27(36)34-28(3,4)5/h14-18H,8-13H2,1-7H3,(H3,29,30,31,32,33,34,36)
別名:PD 173074
定義日:1999-07-14
最終更新日:2020-06-17
識別子（ID）:1-tert-butyl-3-[2-{[4-(diethylamino)butyl]amino}-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]urea
PD5
PD5
表記:1-{4-[4-amino-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl}-3-[3-(trifluoromethyl)phenyl]urea
組成式:C22 H20 F3 N7 O
SMILES:FC(F)(F)c1cc(ccc1)NC(=O)Nc4ccc(c3nn(c2ncnc(c23)N)C(C)C)cc4
InChi:InChI=1S/C22H20F3N7O/c1-12(2)32-20-17(19(26)27-11-28-20)18(31-32)13-6-8-15(9-7-13)29-21(33)30-16-5-3-4-14(10-16)22(23,24)25/h3-12H,1-2H3,(H2,26,27,28)(H2,29,30,33)
別名:1-(4-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl)-3-(3-(trifluoromethyl)phenyl)urea
定義日:2008-10-06
最終更新日:2020-06-17
識別子（ID）:1-{4-[4-amino-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl}-3-[3-(trifluoromethyl)phenyl]urea
AG3
AG3
表記:1-{4-[(3-aminopropyl)amino]butyl}guanidine
組成式:C8 H21 N5
SMILES:[N@H]=C(N)NCCCCNCCCN
InChi:InChI=1S/C8H21N5/c9-4-3-6-12-5-1-2-7-13-8(10)11/h12H,1-7,9H2,(H4,10,11,13)
別名:N1-aminopropylagmatine
定義日:2007-06-26
最終更新日:2020-06-17
識別子（ID）:1-{4-[(3-aminopropyl)amino]butyl}guanidine
AGA
AGA
表記:(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE
組成式:C19 H36 O10 P
SMILES:O=C(OC(COP([O-])(=O)OCC(O)CO)COC(=O)CCCC)CCCCCCC
InChi:InChI=1S/C19H37O10P/c1-3-5-7-8-9-11-19(23)29-17(14-26-18(22)10-6-4-2)15-28-30(24,25)27-13-16(21)12-20/h16-17,20-21H,3-15H2,1-2H3,(H,24,25)/p-1/t16-,17+/m0/s1
別名:PHOSPHATIDYL GLYCEROL
定義日:2003-08-21
最終更新日:2020-06-17
識別子（ID）:(2S)-2,3-dihydroxypropyl (2R)-2-(octanoyloxy)-3-(pentanoyloxy)propyl phosphate
PDG
PDG
表記:N-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-D-GLUTAMIC ACID
組成式:C13 H19 N2 O9 P
SMILES:O=C(O)C(NCc1c(cnc(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)/t10-/m1/s1
別名:N-PYRIDOXYL-D-GLUTAMIC ACID-5'-MONOPHOSPHATE
定義日:2005-04-25
最終更新日:2020-06-17
識別子（ID）:N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-D-glutamic acid
PDH
PDH
表記:(2S)-2-AMINO-3-PHENYL-1-PROPANOL
組成式:C9 H13 N O
SMILES:OCC(N)Cc1ccccc1
InChi:InChI=1S/C9H13NO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2/t9-/m1/s1
別名:D-PHENYLALANINOL
定義日:2001-11-16
最終更新日:2020-06-17
識別子（ID）:(2R)-2-amino-3-phenylpropan-1-ol
AGE
AGE
表記:(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-1H-pyrrol-2-yl]prop-2-enamide
組成式:C16 H16 N2 O3
SMILES:O=C(c1cc(C=CC(=O)NO)n(c1)C)Cc2ccccc2
InChi:InChI=1S/C16H16N2O3/c1-18-11-13(10-14(18)7-8-16(20)17-21)15(19)9-12-5-3-2-4-6-12/h2-8,10-11,21H,9H2,1H3,(H,17,20)/b8-7+
別名:APHA Compound 8
定義日:2008-11-03
最終更新日:2020-06-17
識別子（ID）:(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-1H-pyrrol-2-yl]prop-2-enamide
AGG
AGG
表記:TIROFIBAN
組成式: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
別名:N-(BUTYLSULFONYL)-O-[4-(4-PIPERIDINYL)BUTYL]-L-TYROSINE
定義日:2004-07-19
最終更新日:2020-06-17
識別子（ID）:N-(butylsulfonyl)-O-(4-piperidin-4-ylbutyl)-L-tyrosine
PDN
PDN
表記:17,21-DIHYDROXYPREGNA-1,4-DIENE-3,11,20-TRIONE
組成式: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
別名:PREDNISONE
定義日:2001-06-04
最終更新日:2020-06-17
識別子（ID）:(8alpha,14beta,17alpha,20Z)-17,20,21-trihydroxypregna-1,4,20-triene-3,11-dione
AGK
AGK
表記:(3R,4S,5R)-3-(hydroxymethyl)-1,2-diazinane-4,5-diol
組成式:C5 H12 N2 O3
SMILES:OC[CH]1NNC[CH](O)[CH]1O
InChi:InChI=1S/C5H12N2O3/c8-2-3-5(10)4(9)1-6-7-3/h3-10H,1-2H2/t3-,4-,5+/m1/s1
別名:AZA-GALACTO-FAGOMINE
定義日:2015-03-17
最終更新日:2020-06-17
公開日:2015-03-25
識別子（ID）:(3R,4S,5R)-3-(hydroxymethyl)-1,2-diazinane-4,5-diol
AGS
AGS
表記:PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
組成式: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
別名:ATP-GAMMA-S
定義日:1999-07-08
最終更新日:2020-06-17
識別子（ID）:5'-O-[(S)-hydroxy{[(S)-hydroxy(thiophosphonooxy)phosphoryl]oxy}phosphoryl]adenosine
PE1
PE1
表記:N~2~-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-L-LYSINE
組成式: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
別名:PYRIDOXYL-GLUTAMIC ACID-5'-MONOPHOSPHATE
定義日:2004-11-12
最終更新日:2020-06-17
識別子（ID）:N~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-lysine
PE3
PE3
表記:3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL
組成式: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
別名:POLYETHYLENE GLYCOL
定義日:2004-11-04
最終更新日:2020-06-17
識別子（ID）:3,6,9,12,15,18,21,24,27,30,33,36,39-tridecaoxahentetracontane-1,41-diol
AH0
AH0
表記:2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID
組成式: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
別名:1,6-anhydro-N-acetylmuramic acid
定義日:1999-07-08
最終更新日:2020-06-17
識別子（ID）:(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)
PED
PED
表記:PENTANE-3,4-DIOL-5-PHOSPHATE
組成式:C5 H13 O6 P
SMILES:O=P(O)(O)OCC(O)C(O)CC
InChi:InChI=1S/C5H13O6P/c1-2-4(6)5(7)3-11-12(8,9)10/h4-7H,2-3H2,1H3,(H2,8,9,10)/t4-,5+/m0/s1
別名:OPEN FORM OF 1'-2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATE
定義日:2001-01-11
最終更新日:2020-06-17
識別子（ID）:1,2-dideoxy-5-O-phosphono-D-erythro-pentitol
AHI
AHI
表記:3-{[(E)-AMINO(HYDROXYIMINO)METHYL]AMINO}PROPAN-1-AMINIUM
組成式:C4 H13 N4 O
SMILES:N(/O)=C(/N)NCCC[NH3+]
InChi:InChI=1S/C4H12N4O/c5-2-1-3-7-4(6)8-9/h9H,1-3,5H2,(H3,6,7,8)/p+1
別名:DESCARBOXY-NOR-N(OMEGA)-HYDROXY-L-ARGININE
定義日:2004-05-20
最終更新日:2020-06-17
識別子（ID）:3-(N''-hydroxycarbamimidamido)propan-1-aminium
AHN
AHN
表記:N-[2-(1H-IMIDAZOL-4-YL)ETHYL]ACETAMIDE
組成式:C7 H11 N3 O
SMILES:O=C(NCCc1ncnc1)C
InChi:InChI=1S/C7H11N3O/c1-6(11)9-3-2-7-4-8-5-10-7/h4-5H,2-3H2,1H3,(H,8,10)(H,9,11)
別名:N-ACETYLHISTAMINE
定義日:2005-07-29
最終更新日:2020-06-17
識別子（ID）:N-[2-(1H-imidazol-4-yl)ethyl]acetamide
PEV
PEV
表記:(1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE
組成式: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
別名:PHOSPHATIDYLETHANOLAMINE
定義日:2006-07-06
最終更新日:2020-06-17
識別子（ID）:(1S)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl octadecanoate
PEW
PEW
表記:(1R)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (9S,10S)-9,10-DIBROMOOCTADECANOATE
組成式: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
別名:DIBROMINATED PHOSPHATIDYLETHANOLAMINE
定義日:2006-07-06
最終更新日:2020-06-17
識別子（ID）:(1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9S,10S)-9,10-dibromooctadecanoate
AI1
AI1
表記:N-BENZYL-3-(ALPHA-D-GALACTOS-1-YL)-BENZAMIDE
組成式: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
別名:N-BENZYL-3-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-2-YLOXY)-BENZAMIDE
定義日:2000-07-20
最終更新日:2020-06-17
識別子（ID）:N-benzyl-3-(alpha-D-galactopyranosyloxy)benzamide
PF3
PF3
表記:(2R)-3-({[4-[(PYRIDIN-4-YL)PHENYL]-THIEN-2-YL}CARBOXAMIDO)(PHENYL)PROPANOIC ACID
組成式: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
別名:PF-00356231
定義日:2003-12-12
最終更新日:2020-06-17
識別子（ID）:(3R)-3-phenyl-3-({[4-(4-pyridin-4-ylphenyl)thiophen-2-yl]carbonyl}amino)propanoic acid
AI3
AI3
表記:2,3-DIMETHOXY-12H-[1,3]DIOXOLO[5,6]INDENO[1,2-C]ISOQUINOLIN-6-IUM
組成式: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
別名:AI-III-52
定義日:2004-10-06
最終更新日:2020-06-17
識別子（ID）:2,3-dimethoxy-12H-[1,3]dioxolo[5,6]indeno[1,2-c]isoquinolin-6-ium

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