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PCK
PCK
Name:(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
Formula: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
Synonyms:TETRABROMINATED PHOSPHATIDYLCHOLINE
Definition date:2006-06-30
Last modified:2020-06-17
Identifier:(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
TEJ
TEJ
Name:(1S,3R,5Z,7E,20S,23S)-1,3-dihydroxy-23,26-epoxy-9,10-secocholesta-5,7,10,25(27)-tetraen-26-one
Formula:C27 H38 O4
SMILES:O=C/4OC(CC(C3C2(C)C(C(=CC=C1/C(=C)C(O)CC(O)C1)CCC2)CC3)C)CC4=C
InChi:InChI=1S/C27H38O4/c1-16(12-22-13-17(2)26(30)31-22)23-9-10-24-19(6-5-11-27(23,24)4)7-8-20-14-21(28)15-25(29)18(20)3/h7-8,16,21-25,28-29H,2-3,5-6,9-15H2,1,4H3/b19-7+,20-8-/t16-,21+,22-,23+,24-,25-,27+/m0/s1
Synonyms:(23S)-25-dehydro-1alpha-hydroxyvitamin D3-26,23-lactone
Definition date:2009-05-21
Last modified:2020-06-17
Identifier:(1S,3R,5Z,7E,20S,23S)-1,3-dihydroxy-23,26-epoxy-9,10-secocholesta-5,7,10,25(27)-tetraen-26-one
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
TSZ
TSZ
Name:HYDRAZINECARBOTHIOAMIDE
Formula:C H5 N3 S
SMILES:S=C(N)NN
InChi:InChI=1S/CH5N3S/c2-1(5)4-3/h3H2,(H3,2,4,5)
Synonyms:THIOSEMICARBAZIDE
Definition date:2007-04-13
Last modified:2020-06-17
Identifier:hydrazinecarbothioamide
PCP
PCP
Name:1-ALPHA-PYROPHOSPHORYL-2-ALPHA,3-ALPHA-DIHYDROXY-4-BETA-CYCLOPENTANE-METHANOL-5-PHOSPHATE
Formula: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
Synonyms:CARBOXYLIC PRPP
Definition date:1999-07-08
Last modified:2020-06-17
Identifier:(1S,2R,3R,4R)-2,3-dihydroxy-4-[(phosphonooxy)methyl]cyclopentyl trihydrogen diphosphate
TER
TER
Name:N-(3-AMINO-PROPYL)-N-(5-AMINOPROPYL)-1,4-DIAMINOBUTANE
Formula:C10 H26 N4
SMILES:N(CCCCN)CCCNCCCN
InChi:InChI=1S/C10H26N4/c11-5-1-2-7-13-9-4-10-14-8-3-6-12/h13-14H,1-12H2
Synonyms:THERMOSPERMINE
Definition date:1999-07-08
Last modified:2020-06-17
Identifier:N-{3-[(3-aminopropyl)amino]propyl}butane-1,4-diamine
RRO
RRO
Name:5-bromo-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
Formula:C5 H3 Br N2 O4
SMILES:O=C1NC(C(=O)O)=C(Br)C(=O)N1
InChi:InChI=1S/C5H3BrN2O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h(H,10,11)(H2,7,8,9,12)
Synonyms:5-bromoorotic acid
Definition date:2012-11-19
Last modified:2020-06-17
Release date:2013-11-20
Identifier:5-bromo-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
TT8
TT8
Name:(2S)-2-azanyl-4-[[(2S,3S,4R,5R)-5-[6-(methylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid
Formula:C15 H22 N6 O5 S
SMILES:O=C(O)C(N)CCSCC3OC(n2cnc1c(ncnc12)NC)C(O)C3O
InChi:InChI=1S/C15H22N6O5S/c1-17-12-9-13(19-5-18-12)21(6-20-9)14-11(23)10(22)8(26-14)4-27-3-2-7(16)15(24)25/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H,24,25)(H,17,18,19)/t7-,8+,10+,11+,14+/m0/s1
Synonyms:S-(N6-Methyladenosyl)-L-homocysteine
Definition date:2011-07-13
Last modified:2020-06-17
Identifier:(2S)-2-amino-4-[({(2S,3S,4R,5R)-3,4-dihydroxy-5-[6-(methylamino)-9H-purin-9-yl]tetrahydrofuran-2-yl}methyl)sulfanyl]butanoic acid (non-preferred name)
PD1
PD1
Name:1-TERT-BUTYL-3-[6-(3,5-DIMETHOXY-PHENYL)-2-(4-DIETHYLAMINO-BUTYLAMINO)-PYRIDO[2,3-D]PYRIMIDIN-7-YL]-UREA
Formula: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)
Synonyms:PD 173074
Definition date:1999-07-14
Last modified:2020-06-17
Identifier:1-tert-butyl-3-[2-{[4-(diethylamino)butyl]amino}-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]urea
PRI
PRI
Name:PYRROLIDINE-2-CARBALDEHYDE
Formula:C5 H9 N O
SMILES:O=CC1NCCC1
InChi:InChI=1S/C5H9NO/c7-4-5-2-1-3-6-5/h4-6H,1-3H2/t5-/m0/s1
Synonyms:PROLINOL
Definition date:2001-05-14
Last modified:2020-06-17
Identifier:(2S)-pyrrolidine-2-carbaldehyde
TTB
TTB
Name:4-[(1E)-2-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)PROP-1-ENYL]BENZOIC ACID
Formula:C24 H28 O2
SMILES:O=C(O)c1ccc(cc1)C=C(c2ccc3c(c2)C(CCC3(C)C)(C)C)C
InChi:InChI=1S/C24H28O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)/b16-14+
Synonyms:TTNPB
Definition date:2004-09-14
Last modified:2020-06-17
Identifier:4-[(1E)-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-en-1-yl]benzoic acid
TTC
TTC
Name:(S)-10-[(DIMETHYLAMINO)METHYL]-4-ETHYL-4,9-DIHYDROXY-1H-PYRANO[3',4':6,7]INOLIZINO[1,2-B]-QUINOLINE-3,14(4H,12H)-DIONE
Formula:C23 H23 N3 O5
SMILES:O=C1N4C(=CC2=C1COC(=O)C2(O)CC)c3nc5c(cc3C4)c(c(O)cc5)CN(C)C
InChi:InChI=1S/C23H23N3O5/c1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20/h5-8,27,30H,4,9-11H2,1-3H3/t23-/m0/s1
Synonyms:TOPOTECAN, HYCAMTIN
Definition date:2001-12-06
Last modified:2020-06-17
Identifier:(4S)-10-[(dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione
TTD
TTD
Name:CIS-SYN CYCLOBUTANE THYMINE DIMER
Formula:C20 H28 N4 O15 P2
SMILES:O=C1NC(=O)C5(C4N1C2OC(C(O)C2)COP(=O)(O)OC6C(OC(N3C(=O)NC(=O)C5(C34)C)C6)COP(=O)(O)O)C
InChi:InChI=1S/C20H28N4O15P2/c1-19-13-14-20(19,2)16(27)22-18(29)24(14)12-4-8(10(38-12)6-35-40(30,31)32)39-41(33,34)36-5-9-7(25)3-11(37-9)23(13)17(28)21-15(19)26/h7-14,25H,3-6H2,1-2H3,(H,33,34)(H,21,26,28)(H,22,27,29)(H2,30,31,32)/t7-,8-,9+,10+,11+,12+,13+,14-,19-,20+/m0/s1
Synonyms:[(3S,4S,9S,10R,12R,15AR,18BS,18CS)-3,7-DIHYDROXY-15A,15B-DIMETHYL-7-OXIDO-13,15,16,18-TETRAOXOHEXADECAHYDRO-1H-1,4-EPOX Y-9,12-METHANO-6,8,11-TRIOXA-12A,14,17,18A-TETRAAZA-7-PHOSPHACYCLOHEXADECA[1,2,3,4-DEF]BIPHENYLEN-10-YL]METHYL DIHYDROGEN PHOSPHATE
Definition date:2004-03-16
Last modified:2020-06-17
Identifier:[(1R,3R,4S,6S,9R,10S,12R,15aS,15bR,18bR,18cS)-6,10-dihydroxy-15a,15b-dimethyl-6-oxido-13,15,16,18-tetraoxohexadecahydro-8H-9,12-epoxy-1,4-methano-2,5,7-trioxa-12a,14,17,18a-tetraaza-6-phosphacyclohexadeca[1,2,3,4-def]biphenylen-3-yl]methyl dihydrogen phosphate
PD5
PD5
Name:1-{4-[4-amino-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl}-3-[3-(trifluoromethyl)phenyl]urea
Formula: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)
Synonyms:1-(4-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl)-3-(3-(trifluoromethyl)phenyl)urea
Definition date:2008-10-06
Last modified:2020-06-17
Identifier:1-{4-[4-amino-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl}-3-[3-(trifluoromethyl)phenyl]urea
RDC
RDC
Name:RADICICOL
Formula:C18 H17 Cl O6
SMILES:O=C2C=CC=CC3OC3CC(OC(=O)c1c(O)cc(O)c(Cl)c1C2)C
InChi:InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/b4-2+,5-3-/t9-,14-,15-/m1/s1
Synonyms:MONORDEN
Definition date:1999-07-08
Last modified:2020-06-17
Identifier:(1aR,2Z,4E,14R,15aR)-8-chloro-9,11-dihydroxy-14-methyl-1a,14,15,15a-tetrahydro-6H-oxireno[e][2]benzoxacyclotetradecine-6,12(7H)-dione
RDG
RDG
Name:2'-deoxy-N-(furan-2-ylmethyl)guanosine 5'-(dihydrogen phosphate)
Formula:C15 H18 N5 O8 P
SMILES:O=P(O)(O)OCC4OC(n3cnc2c3N=C(NCc1occc1)NC2=O)CC4O
InChi:InChI=1S/C15H18N5O8P/c21-9-4-11(28-10(9)6-27-29(23,24)25)20-7-17-12-13(20)18-15(19-14(12)22)16-5-8-2-1-3-26-8/h1-3,7,9-11,21H,4-6H2,(H2,23,24,25)(H2,16,18,19,22)/t9-,10+,11+/m0/s1
Synonyms:N2-furfuryl-deoxyguanosine-5'-monophosphate
Definition date:2013-04-22
Last modified:2020-06-17
Release date:2015-05-06
Identifier:2'-deoxy-N-(furan-2-ylmethyl)guanosine 5'-(dihydrogen phosphate)
TTL
TTL
Name:TRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-OL
Formula:C10 H13 N O
SMILES:OC2c1ccccc1CCC2N
InChi:InChI=1S/C10H13NO/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-4,9-10,12H,5-6,11H2/t9-,10-/m0/s1
Synonyms:TRANS-(1S,2S)-1-HYDROXY-2-AMINO-1,2,3,4 TETRAHYDRONAPHTHALENE, TRANS-(1S,2S)-2-AMINO-1-TETRALOL
Definition date:2005-08-12
Last modified:2020-06-17
Identifier:(1S,2S)-2-amino-1,2,3,4-tetrahydronaphthalen-1-ol
RS3
RS3
Name:1-deoxy-1-[8-(dimethylamino)-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl]-D-ribitol
Formula:C18 H23 N5 O6
SMILES:O=C2N=C1N(c3cc(N(C)C)c(cc3N=C1C(=O)N2)C)CC(O)C(O)C(O)CO
InChi:InChI=1S/C18H23N5O6/c1-8-4-9-11(5-10(8)22(2)3)23(6-12(25)15(27)13(26)7-24)16-14(19-9)17(28)21-18(29)20-16/h4-5,12-13,15,24-27H,6-7H2,1-3H3,(H,21,28,29)/t12-,13+,15-/m0/s1
Synonyms:Roseoflavin
Definition date:2008-11-18
Last modified:2020-06-17
Identifier:1-deoxy-1-[8-(dimethylamino)-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl]-D-ribitol
4TZ
4TZ
Name:4-{[(4-CYANOPHENYL)(4H-1,2,4-TRIAZOL-4-YL)AMINO]METHYL}PHENYL SULFAMATE
Formula:C16 H14 N6 O3 S
SMILES:O=S(=O)(Oc1ccc(cc1)CN(n2cnnc2)c3ccc(C#N)cc3)N
InChi:InChI=1S/C16H14N6O3S/c17-9-13-1-5-15(6-2-13)22(21-11-19-20-12-21)10-14-3-7-16(8-4-14)25-26(18,23)24/h1-8,11-12H,10H2,(H2,18,23,24)
Synonyms:4-[(4-O-SULFAMOYLBENZYL)(4-CYANOPHENYL)AMINO]-4H-[1,2,4]-TRIAZOLE
Definition date:2005-02-01
Last modified:2020-06-17
Identifier:4-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-yl)amino]methyl}phenyl sulfamate
SLX
SLX
Name:(13aS)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-2,9-diol
Formula:C19 H21 N O4
SMILES:Oc1c4c(ccc1OC)CC3c2c(cc(OC)c(O)c2)CCN3C4
InChi:InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1
Synonyms:(S)-scoulerine
Definition date:2009-01-20
Last modified:2020-06-17
Identifier:(13aS)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-2,9-diol
QLI
QLI
Name:(5S,6S)-6-amino-5-[(1-carboxyethenyl)oxy]cyclohexa-1,3-diene-1-carboxylic acid
Formula:C10 H11 N O5
SMILES:O=C(O)C1=CC=CC(O/C(C(=O)O)=C)C1N
InChi:InChI=1S/C10H11NO5/c1-5(9(12)13)16-7-4-2-3-6(8(7)11)10(14)15/h2-4,7-8H,1,11H2,(H,12,13)(H,14,15)/t7-,8-/m0/s1
Synonyms:2-amino-2-deoxy-isochorismic acid
Definition date:2011-03-23
Last modified:2020-06-17
Identifier:(5S,6S)-6-amino-5-[(1-carboxyethenyl)oxy]cyclohexa-1,3-diene-1-carboxylic acid
PDG
PDG
Name:N-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-D-GLUTAMIC ACID
Formula: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
Synonyms:N-PYRIDOXYL-D-GLUTAMIC ACID-5'-MONOPHOSPHATE
Definition date:2005-04-25
Last modified:2020-06-17
Identifier:N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-D-glutamic acid
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
4U3
4U3
Name:5-chloro-2'-deoxycytidine 5'-(dihydrogen phosphate)
Formula:C9 H13 Cl N3 O7 P
SMILES:C1(N=C(N)C(Cl)=CN1C2OC(COP(=O)(O)O)C(O)C2)=O
InChi:InChI=1S/C9H13ClN3O7P/c10-4-2-13(9(15)12-8(4)11)7-1-5(14)6(20-7)3-19-21(16,17)18/h2,5-7,14H,1,3H2,(H2,11,12,15)(H2,16,17,18)/t5-,6+,7+/m0/s1
Synonyms:5-Chloro-5'-deoxycytidine
Definition date:2015-05-27
Last modified:2020-06-17
Release date:2015-08-19
Identifier:5-chloro-2'-deoxycytidine 5'-(dihydrogen phosphate)

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數據於2025-06-25公開中

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