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PX4
PX4
Name:1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE
Formula:C36 H73 N O8 P
SMILES:O=C(OCC(OC(=O)CCCCCCCCCCCCC)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCCCCC
InChi:InChI=1S/C36H72NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-35(38)42-32-34(33-44-46(40,41)43-31-30-37(3,4)5)45-36(39)29-27-25-23-21-19-17-15-13-11-9-7-2/h34H,6-33H2,1-5H3/p+1/t34-/m1/s1
Definition date:2004-07-27
Last modified:2011-06-04
Identifier:(4R,7R)-4-hydroxy-N,N,N-trimethyl-10-oxo-7-(tetradecanoyloxy)-3,5,9-trioxa-4-phosphatricosan-1-aminium 4-oxide
PX6
PX6
Name:1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE
Formula:C35 H68 O8 P
SMILES:O=P([O-])(O)OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC
InChi:InChI=1S/C35H69O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(36)41-31-33(32-42-44(38,39)40)43-35(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33H,3-32H2,1-2H3,(H2,38,39,40)/p-1/t33-/m1/s1
Definition date:2004-08-02
Last modified:2011-06-04
Identifier:(2R)-2,3-bis(hexadecanoyloxy)propyl hydrogen phosphate
PX8
PX8
Name:1,2-DISTEAROYL-SN-GLYCERO-3-PHOSPHATE
Formula:C39 H76 O8 P
SMILES:O=P([O-])(O)OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC
InChi:InChI=1S/C39H77O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3,(H2,42,43,44)/p-1/t37-/m1/s1
Definition date:2004-08-02
Last modified:2011-06-04
Identifier:(2R)-2,3-bis(octadecanoyloxy)propyl hydrogen phosphate
PXC
PXC
Name:phenazine-1,6-dicarboxylic acid
Formula:C14 H8 N2 O4
SMILES:OC(=O)c1cccc2nc3c(cccc3C(O)=O)nc12
InChi:InChI=1S/C14H8N2O4/c17-13(18)7-3-1-5-9-11(7)16-10-6-2-4-8(14(19)20)12(10)15-9/h1-6H,(H,17,18)(H,19,20)
Definition date:2009-12-16
Last modified:2011-06-04
Identifier:phenazine-1,6-dicarboxylic acid
PY0
PY0
Name:(1S,2S)-1-amino-1,2-dihydroxypropan-1-olate
Formula:C3 H8 N O3
SMILES:[O-]C(O)(N)C(O)C
InChi:InChI=1S/C3H8NO3/c1-2(5)3(4,6)7/h2,5-6H,4H2,1H3/q-1/t2-,3+/m0/s1
Definition date:2009-01-21
Last modified:2011-06-04
Identifier:(1S,2S)-1-amino-1,2-dihydroxypropan-1-olate
PY1
PY1
Name:4-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-YL)QUINOLINE
Formula:C17 H12 N4
SMILES:n3ccc(c1c(nnc1)c2ncccc2)c4ccccc34
InChi:InChI=1S/C17H12N4/c1-2-6-15-13(5-1)12(8-10-19-15)14-11-20-21-17(14)16-7-3-4-9-18-16/h1-11H,(H,20,21)
Definition date:2003-07-21
Last modified:2011-06-04
Identifier:4-(3-pyridin-2-yl-1H-pyrazol-4-yl)quinoline
PY3
PY3
Name:5-[AMINO(IMINO)METHYL]-2-[({[6-[3-AMINO-5-({[(1R)-1-METHYLPROPYL]AMINO}CARBONYL)PHENYL]-3-(ISOPROPYLAMINO)-2-OXOPYRAZIN-1(2H)-YL]ACETYL}AMINO)METHYL]-N-PYRIDIN-4-YLBENZAMIDE
Formula:C34 H40 N10 O4
SMILES:O=C(Nc1ccncc1)c2cc(C(=[N@H])N)ccc2CNC(=O)CN3C(=CN=C(NC(C)C)C3=O)c4cc(N)cc(C(=O)NC(C)CC)c4
InChi:InChI=1S/C34H40N10O4/c1-5-20(4)42-32(46)24-12-23(13-25(35)14-24)28-17-40-31(41-19(2)3)34(48)44(28)18-29(45)39-16-22-7-6-21(30(36)37)15-27(22)33(47)43-26-8-10-38-11-9-26/h6-15,17,19-20H,5,16,18,35H2,1-4H3,(H3,36,37)(H,39,45)(H,40,41)(H,42,46)(H,38,43,47)/t20-/m1/s1
Definition date:2005-03-25
Last modified:2011-06-04
Identifier:2-[({[6-(3-amino-5-{[(1R)-1-methylpropyl]carbamoyl}phenyl)-3-[(1-methylethyl)amino]-2-oxopyrazin-1(2H)-yl]acetyl}amino)methyl]-5-carbamimidoyl-N-pyridin-4-ylbenzamide
PYC
PYC
Name:PYRROLE-2-CARBOXYLATE
Formula:C5 H4 N O2
SMILES:[O-]C(=O)c1cccn1
InChi:InChI=1S/C5H5NO2/c7-5(8)4-2-1-3-6-4/h1-3,6H,(H,7,8)/p-1
Definition date:2000-03-27
Last modified:2011-06-04
Identifier:1H-pyrrole-2-carboxylate
PYE
PYE
Name:TETRAHYDROPYRAN
Formula:C5 H10 O
SMILES:O1CCCCC1
InChi:InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2
Definition date:2002-02-07
Last modified:2011-06-04
Identifier:tetrahydro-2H-pyran
PYO
PYO
Name:1-(BETA-D-RIBOFURANOSYL)-PYRIMIDIN-2-ONE-5'-PHOSPHATE
Formula:C9 H13 N2 O8 P
SMILES:O=C1N=CC=CN1C2OC(C(O)C2O)COP(=O)(O)O
InChi:InChI=1S/C9H13N2O8P/c12-6-5(4-18-20(15,16)17)19-8(7(6)13)11-3-1-2-10-9(11)14/h1-3,5-8,12-13H,4H2,(H2,15,16,17)/t5-,6-,7-,8-/m1/s1
Definition date:2000-09-13
Last modified:2011-06-04
Identifier:1-(5-O-phosphono-beta-D-ribofuranosyl)pyrimidin-2(1H)-one
PYP
PYP
Name:2'-DEOXYRIBOFURANOSYLPYRENE-5'-MONOPHOSPHATE
Formula:C21 H19 O6 P
SMILES:O=P(OCC5OC(c4c1c3c2c(cc1)cccc2ccc3cc4)CC5O)(O)O
InChi:InChI=1S/C21H19O6P/c22-17-10-18(27-19(17)11-26-28(23,24)25)15-8-6-14-5-4-12-2-1-3-13-7-9-16(15)21(14)20(12)13/h1-9,17-19,22H,10-11H2,(H2,23,24,25)/t17-,18+,19+/m0/s1
Definition date:2000-10-04
Last modified:2011-06-04
Identifier:(1R)-1,4-anhydro-2-deoxy-5-O-phosphono-1-pyren-1-yl-D-erythro-pentitol
PYS
PYS
Name:2-PYRIDINETHIOL
Formula:C5 H5 N S
SMILES:Sc1ncccc1
InChi:InChI=1S/C5H5NS/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:pyridine-2-thiol
PYT
PYT
Name:2-AMINOPROP-2-ENAMIDE
Formula:C3 H6 N2 O
SMILES:O=C(C(=C)N)N
InChi:InChI=1S/C3H6N2O/c1-2(4)3(5)6/h1,4H2,(H2,5,6)
Definition date:2000-11-02
Last modified:2011-06-04
Identifier:2-aminoprop-2-enamide
PYU
PYU
Name:2-(1H-pyrrol-1-ylcarbonyl)benzene-1,3,5-triol
Formula:C11 H9 N O4
SMILES:O=C(c1c(O)cc(O)cc1O)n2cccc2
InChi:InChI=1S/C11H9NO4/c13-7-5-8(14)10(9(15)6-7)11(16)12-3-1-2-4-12/h1-6,13-15H
Definition date:2008-09-26
Last modified:2011-06-04
Identifier:2-(1H-pyrrol-1-ylcarbonyl)benzene-1,3,5-triol
PYY
PYY
Name:D-RIBOFURANOSYL-BENZENE-5'-MONOPHOSPHATE
Formula:C11 H15 O7 P
SMILES:O=P(OCC2OC(c1ccccc1)C(O)C2O)(O)O
InChi:InChI=1S/C11H15O7P/c12-9-8(6-17-19(14,15)16)18-11(10(9)13)7-4-2-1-3-5-7/h1-5,8-13H,6H2,(H2,14,15,16)/t8-,9-,10-,11+/m1/s1
Definition date:2000-10-27
Last modified:2011-06-04
Identifier:(1S)-1,4-anhydro-1-phenyl-5-O-phosphono-D-ribitol
PYZ
PYZ
Name:4-IODOPYRAZOLE
Formula:C3 H3 I N2
SMILES:Ic1cnnc1
InChi:InChI=1S/C3H3IN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6)
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:4-iodo-1H-pyrazole
PZI
PZI
Name:2-(2-oxopyrrolidin-1-yl)acetamide
Formula:C6 H10 N2 O2
SMILES:NC(=O)CN1CCCC1=O
InChi:InChI=1S/C6H10N2O2/c7-5(9)4-8-3-1-2-6(8)10/h1-4H2,(H2,7,9)
Definition date:2010-02-17
Last modified:2011-06-04
Identifier:2-(2-oxopyrrolidin-1-yl)ethanamide
PZL
PZL
Name:3-[6-bromo-2-fluoro-3-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-chlorobenzonitrile
Formula:C19 H10 Br Cl F N5 O
SMILES:N#Cc4cc(Oc1c(Br)ccc(c1F)Cc3nnc2nnccc23)cc(Cl)c4
InChi:InChI=1S/C19H10BrClFN5O/c20-15-2-1-11(7-16-14-3-4-24-26-19(14)27-25-16)17(22)18(15)28-13-6-10(9-23)5-12(21)8-13/h1-6,8H,7H2,(H,25,26,27)
Definition date:2008-07-29
Last modified:2011-06-04
Identifier:3-[6-bromo-2-fluoro-3-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-chlorobenzonitrile
PZO
PZO
Name:PYRAZOLE
Formula:C3 H4 N2
SMILES:n1cccn1
InChi:InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)
Definition date:2002-12-17
Last modified:2011-06-04
Identifier:1H-pyrazole
PZR
PZR
Name:1H-pyrazolo[4,3-c]pyridine
Formula:C6 H5 N3
SMILES:n1ccc2c(c1)cnn2
InChi:InChI=1S/C6H5N3/c1-2-7-3-5-4-8-9-6(1)5/h1-4H,(H,8,9)
Definition date:2011-05-26
Last modified:2011-06-04
Identifier:1H-pyrazolo[4,3-c]pyridine
6HA
6HA
Name:1',5'-ANHYDRO-2',3'-DIDEOXY-2'-(ADENIN-9-YL)-6'-O-PHOSPHORYL-D-ARABINO-HEXITOL
Formula:C11 H16 N5 O6 P
SMILES:O=P(O)(O)OCC3OCC(n1cnc2c(ncnc12)N)CC3O
InChi:InChI=1S/C11H16N5O6P/c12-10-9-11(14-4-13-10)16(5-15-9)6-1-7(17)8(21-2-6)3-22-23(18,19)20/h4-8,17H,1-3H2,(H2,12,13,14)(H2,18,19,20)/t6-,7-,8+/m0/s1
Definition date:1999-07-23
Last modified:2011-06-04
Identifier:2-(6-amino-9H-purin-9-yl)-1,5-anhydro-2,3-dideoxy-6-O-phosphono-D-arabino-hexitol
6HC
6HC
Name:1',5'-ANHYDRO-2',3'-DIDEOXY-2'-(CYTOSIN-1-YL)-6'-O-PHOSPHORYL-D-ARABINO-HEXITOL
Formula:C10 H16 N3 O7 P
SMILES:O=C1N=C(N)C=CN1C2CC(O)C(OC2)COP(=O)(O)O
InChi:InChI=1S/C10H16N3O7P/c11-9-1-2-13(10(15)12-9)6-3-7(14)8(19-4-6)5-20-21(16,17)18/h1-2,6-8,14H,3-5H2,(H2,11,12,15)(H2,16,17,18)/t6-,7-,8+/m0/s1
Definition date:1999-07-23
Last modified:2011-06-04
Identifier:2-(4-amino-2-oxopyrimidin-1(2H)-yl)-1,5-anhydro-2,3-dideoxy-6-O-phosphono-D-arabino-hexitol
6HG
6HG
Name:1',5'-ANHYDRO-2',3'-DIDEOXY-2'-(GUANIN-9-YL)-6'-O-PHOSPHORYL-D-ARABINO-HEXITOL
Formula:C11 H16 N5 O7 P
SMILES:O=C2NC(=Nc1n(cnc12)C3CC(O)C(OC3)COP(=O)(O)O)N
InChi:InChI=1S/C11H16N5O7P/c12-11-14-9-8(10(18)15-11)13-4-16(9)5-1-6(17)7(22-2-5)3-23-24(19,20)21/h4-7,17H,1-3H2,(H2,19,20,21)(H3,12,14,15,18)/t5-,6-,7+/m0/s1
Definition date:1999-07-23
Last modified:2011-06-04
Identifier:2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,5-anhydro-2,3-dideoxy-6-O-phosphono-D-arabino-hexitol
6HI
6HI
Name:(3R,5R)-7-{2-[(4-fluorobenzyl)carbamoyl]-4-(4-fluorophenyl)-1-(1-methylethyl)-1H-imidazol-5-yl}-3,5-dihydroxyheptanoic acid
Formula:C27 H31 F2 N3 O5
SMILES:O=C(NCc1ccc(F)cc1)c2nc(c(n2C(C)C)CCC(O)CC(O)CC(=O)O)c3ccc(F)cc3
InChi:InChI=1S/C27H31F2N3O5/c1-16(2)32-23(12-11-21(33)13-22(34)14-24(35)36)25(18-5-9-20(29)10-6-18)31-26(32)27(37)30-15-17-3-7-19(28)8-4-17/h3-10,16,21-22,33-34H,11-15H2,1-2H3,(H,30,37)(H,35,36)/t21-,22-/m1/s1
Definition date:2008-02-27
Last modified:2011-06-04
Identifier:(3R,5R)-7-{2-[(4-fluorobenzyl)carbamoyl]-4-(4-fluorophenyl)-1-(1-methylethyl)-1H-imidazol-5-yl}-3,5-dihydroxyheptanoic acid
6HT
6HT
Name:1',5'-ANHYDRO-2',3'-DIDEOXY-2'-(THYMIN-1-YL)-6'-O-PHOSPHORYL-D-ARABINO-HEXITOL
Formula:C11 H17 N2 O8 P
SMILES:O=C1NC(=O)N(C=C1C)C2CC(O)C(OC2)COP(=O)(O)O
InChi:InChI=1S/C11H17N2O8P/c1-6-3-13(11(16)12-10(6)15)7-2-8(14)9(20-4-7)5-21-22(17,18)19/h3,7-9,14H,2,4-5H2,1H3,(H,12,15,16)(H2,17,18,19)/t7-,8-,9+/m0/s1
Definition date:1999-07-23
Last modified:2011-06-04
Identifier:1,5-anhydro-2,3-dideoxy-2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-6-O-phosphono-D-arabino-hexitol

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數據於2024-09-11公開中

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