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HC5
HC5
Name:(R)-3-CARBOXY-2-(HEXANOYLOXY)-N,N,N-TRIMETHYLPROPAN-1-AMINIUM
Formula:C13 H26 N O4
SMILES:O=C(O)CC(OC(=O)CCCCC)C[N+](C)(C)C
InChi:InChI=1S/C13H25NO4/c1-5-6-7-8-13(17)18-11(9-12(15)16)10-14(2,3)4/h11H,5-10H2,1-4H3/p+1/t11-/m1/s1
Synonyms:HEXANOYLCARNITINE
Definition date:2006-05-26
Last modified:2021-03-01
Identifier:(2R)-3-carboxy-2-(hexanoyloxy)-N,N,N-trimethylpropan-1-aminium
HCD
HCD
Name:(3alpha,8alpha)-cholest-5-ene-3,20-diol
Formula:C27 H46 O2
SMILES:OC(C4C3(C(C1C(C2(C(=CC1)CC(O)CC2)C)CC3)CC4)C)(C)CCCC(C)C
InChi:InChI=1S/C27H46O2/c1-18(2)7-6-14-27(5,29)24-11-10-22-21-9-8-19-17-20(28)12-15-25(19,3)23(21)13-16-26(22,24)4/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t20-,21-,22-,23-,24-,25-,26-,27-/m0/s1
Synonyms:20S-hydroxycholesterol
Definition date:2010-06-02
Last modified:2021-03-01
Identifier:(3alpha,8alpha)-cholest-5-ene-3,20-diol
HCE
HCE
Name:{(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-hydroxypyrrolidin-3-yl}-L-methionine
Formula:C16 H24 N6 O3 S
SMILES:O=C(O)C(N)CCSCC3CN(Cc2cnc1c2ncnc1N)CC3O
InChi:InChI=1S/C16H24N6O3S/c17-11(16(24)25)1-2-26-7-10-5-22(6-12(10)23)4-9-3-19-14-13(9)20-8-21-15(14)18/h3,8,10-12,19,23H,1-2,4-7,17H2,(H,24,25)(H2,18,20,21)/t10-,11+,12+/m1/s1
Synonyms:homocysteine-DADMe-Immucillin-A
Definition date:2012-05-11
Last modified:2021-03-01
Release date:2013-05-01
Identifier:{(3S,4R)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-hydroxypyrrolidin-3-yl}-L-methionine
HCM
HCM
Name:(2S)-2-amino-4-(methyldisulfanyl)butanoic acid
Formula:C5 H11 N O2 S2
SMILES:O=C(O)C(N)CCSSC
InChi:InChI=1S/C5H11NO2S2/c1-9-10-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
Synonyms:S-methylsulfanyl-homocystein
Definition date:2012-12-18
Last modified:2021-03-01
Release date:2013-12-18
Identifier:(2S)-2-amino-4-(methyldisulfanyl)butanoic acid
039
039
Name:2-((9H-PURIN-6-YLTHIO)METHYL)-5-CHLORO-3-(2-METHOXYPHENYL)QUINAZOLIN-4(3H)-ONE
Formula:C21 H15 Cl N6 O2 S
SMILES:Clc2cccc3N=C(N(c1ccccc1OC)C(=O)c23)CSc5ncnc4c5ncn4
InChi:InChI=1S/C21H15ClN6O2S/c1-30-15-8-3-2-7-14(15)28-16(27-13-6-4-5-12(22)17(13)21(28)29)9-31-20-18-19(24-10-23-18)25-11-26-20/h2-8,10-11H,9H2,1H3,(H,23,24,25,26)
Synonyms:PIK-39
Definition date:2006-03-16
Last modified:2021-03-01
Identifier:5-chloro-3-(2-methoxyphenyl)-2-[(9H-purin-6-ylsulfanyl)methyl]quinazolin-4(3H)-one
03G
03G
Name:N-(4-chlorophenyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanediamide
Formula:C17 H24 Cl N3 O2
SMILES:Clc1ccc(cc1)NC(=O)C(=O)NC2CC(NC(C)(C)C2)(C)C
InChi:InChI=1S/C17H24ClN3O2/c1-16(2)9-13(10-17(3,4)21-16)20-15(23)14(22)19-12-7-5-11(18)6-8-12/h5-8,13,21H,9-10H2,1-4H3,(H,19,22)(H,20,23)
Synonyms:NBD-556
Definition date:2011-08-24
Last modified:2021-03-01
Identifier:N-(4-chlorophenyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanediamide
03H
03H
Name:(2S)-2-chloro-4-methylpentanoic acid
Formula:C6 H11 Cl O2
SMILES:ClC(C(=O)O)CC(C)C
InChi:InChI=1S/C6H11ClO2/c1-4(2)3-5(7)6(8)9/h4-5H,3H2,1-2H3,(H,8,9)/t5-/m0/s1
Synonyms:(S)-alpha-chloroisocaproate
Definition date:2011-09-28
Last modified:2021-03-01
Release date:2012-09-28
Identifier:(2S)-2-chloro-4-methylpentanoic acid
HCY
HCY
Name:(11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione
Formula:C21 H30 O5
SMILES:O=C(CO)C3(O)C2(CC(O)C4C1(C(=CC(=O)CC1)CCC4C2CC3)C)C
InChi:InChI=1S/C21H30O5/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/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
Synonyms:CORTISOL
Definition date:2007-10-13
Last modified:2021-03-01
Identifier:(11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione
03P
03P
Name:N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide
Formula:C26 H25 Cl F3 N5 O3
SMILES:FC(F)(F)c4cc(Oc1ccc(cc1Cl)Nc2ncnc3c2n(cc3)CCNC(=O)CC(O)(C)C)ccc4
InChi:InChI=1S/C26H25ClF3N5O3/c1-25(2,37)14-22(36)31-9-11-35-10-8-20-23(35)24(33-15-32-20)34-17-6-7-21(19(27)13-17)38-18-5-3-4-16(12-18)26(28,29)30/h3-8,10,12-13,15,37H,9,11,14H2,1-2H3,(H,31,36)(H,32,33,34)
Synonyms:TAK-285
Definition date:2010-11-30
Last modified:2021-03-01
Identifier:N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide
HDC
HDC
Name:3R-HYDROXYDECANOYL-COENZYME A
Formula:C31 H54 N7 O18 P3 S
SMILES:O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)CC(O)CCCCCCC
InChi:InChI=1S/C31H54N7O18P3S/c1-4-5-6-7-8-9-19(39)14-22(41)60-13-12-33-21(40)10-11-34-29(44)26(43)31(2,3)16-53-59(50,51)56-58(48,49)52-15-20-25(55-57(45,46)47)24(42)30(54-20)38-18-37-23-27(32)35-17-36-28(23)38/h17-20,24-26,30,39,42-43H,4-16H2,1-3H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t19-,20-,24-,25-,26+,30-/m1/s1
Synonyms:3R-HYDROXYDECANOYL-COA
Definition date:2003-06-17
Last modified:2021-03-01
Identifier:S-{(9R,13S,15R)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} (3R)-3-hydroxydecanethioate (non-preferred name)
HDH
HDH
Name:4-oxidanylbenzohydrazide
Formula:C7 H8 N2 O2
SMILES:NNC(=O)c1ccc(O)cc1
InChi:InChI=1S/C7H8N2O2/c8-9-7(11)5-1-3-6(10)4-2-5/h1-4,10H,8H2,(H,9,11)
Synonyms:4-hydroxybenzoic acid hydrazide
Definition date:2016-11-18
Last modified:2021-03-01
Release date:2017-02-01
Identifier:4-oxidanylbenzohydrazide
HDL
HDL
Name:D-arabinohydroxamic acid
Formula:C5 H9 N O7
SMILES:O=C(NO)C(O)C(O)C(O)C(=O)O
InChi:InChI=1S/C5H9NO7/c7-1(3(9)5(11)12)2(8)4(10)6-13/h1-3,7-9,13H,(H,6,10)(H,11,12)/t1-,2+,3+/m1/s1
Synonyms:D-arabinohydroxamate
Definition date:2009-05-26
Last modified:2021-03-01
Identifier:1-(hydroxyamino)-D-lyxuronic acid
04G
04G
Name:7-hydroxy-3H-phenoxazin-3-one
Formula:C12 H7 N O3
SMILES:O=C2C=CC1=Nc3c(OC1=C2)cc(O)cc3
InChi:InChI=1S/C12H7NO3/c14-7-1-3-9-11(5-7)16-12-6-8(15)2-4-10(12)13-9/h1-6,14H
Synonyms:RESORUFIN
Definition date:2011-10-19
Last modified:2021-03-01
Identifier:7-hydroxy-3H-phenoxazin-3-one
04M
04M
Name:5-(morpholin-4-ylsulfonyl)-2-{[3-(octyloxy)benzyl]oxy}benzoic acid
Formula:C26 H35 N O7 S
SMILES:O=S(=O)(N1CCOCC1)c3cc(C(=O)O)c(OCc2cccc(OCCCCCCCC)c2)cc3
InChi:InChI=1S/C26H35NO7S/c1-2-3-4-5-6-7-15-33-22-10-8-9-21(18-22)20-34-25-12-11-23(19-24(25)26(28)29)35(30,31)27-13-16-32-17-14-27/h8-12,18-19H,2-7,13-17,20H2,1H3,(H,28,29)
Synonyms:BPH-1158
Definition date:2011-06-16
Last modified:2021-03-01
Release date:2016-09-07
Identifier:5-(morpholin-4-ylsulfonyl)-2-{[3-(octyloxy)benzyl]oxy}benzoic acid
04W
04W
Name:2-{[3-(decyloxy)benzyl]oxy}-5-nitrobenzoic acid
Formula:C24 H31 N O6
SMILES:[O-][N+](=O)c2ccc(OCc1cccc(OCCCCCCCCCC)c1)c(c2)C(=O)O
InChi:InChI=1S/C24H31NO6/c1-2-3-4-5-6-7-8-9-15-30-21-12-10-11-19(16-21)18-31-23-14-13-20(25(28)29)17-22(23)24(26)27/h10-14,16-17H,2-9,15,18H2,1H3,(H,26,27)
Synonyms:BPH-1186
Definition date:2011-06-17
Last modified:2021-03-01
Release date:2016-09-07
Identifier:2-{[3-(decyloxy)benzyl]oxy}-5-nitrobenzoic acid
HEJ
HEJ
Name:9-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-amine
Formula:C10 H16 N5 O13 P3
SMILES:Nc1ncnc2c1ncn2C3OC(COP(O)(=O)OP(O)(=O)OP(O)(=O)O)C(O)C3O
InChi:InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7+,10-/m1/s1
Synonyms:Vidarabine-TRIPHOSPHATE
Definition date:2018-06-27
Last modified:2021-03-01
Release date:2018-10-24
Identifier:9-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-amine
HF4
HF4
Name:4-amino-1-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}pyrimidin-2(1H)-one
Formula:C9 H16 N3 O14 P3
SMILES:C=1N(C(=O)N=C(N)C=1)C2C(C(C(COP(OP(OP(=O)(O)O)(O)=O)(O)=O)O2)O)O
InChi:InChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7+,8-/m1/s1
Synonyms:Cytarabine-TRIPHOSPHATE
Definition date:2018-06-27
Last modified:2021-03-01
Release date:2018-10-10
Identifier:4-amino-1-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}pyrimidin-2(1H)-one
HFG
HFG
Name:7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one
Formula:C16 H17 Br Cl N3 O3
SMILES:Brc3c(Cl)cc1c(N=CN(C1=O)CC(=O)CC2NCCCC2O)c3
InChi:InChI=1S/C16H17BrClN3O3/c17-11-6-13-10(5-12(11)18)16(24)21(8-20-13)7-9(22)4-14-15(23)2-1-3-19-14/h5-6,8,14-15,19,23H,1-4,7H2/t14-,15+/m1/s1
Synonyms:Halofuginone
Definition date:2012-11-09
Last modified:2021-03-01
Release date:2012-12-28
Identifier:7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one
06C
06C
Name:Iodomethane
Formula:C H3 I
SMILES:IC
InChi:InChI=1S/CH3I/c1-2/h1H3
Synonyms:Methyl iodine
Definition date:2011-03-03
Last modified:2021-03-01
Identifier:iodomethane
HGG
HGG
Name:(3R,5S,9R,21S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,21-tetrahydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide
Formula:C26 H42 N7 O20 P3 S
SMILES:O=C(O)CC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O
InChi:InChI=1S/C26H42N7O20P3S/c1-26(2,21(40)24(41)29-4-3-15(35)28-5-6-57-17(38)8-13(34)7-16(36)37)10-50-56(47,48)53-55(45,46)49-9-14-20(52-54(42,43)44)19(39)25(51-14)33-12-32-18-22(27)30-11-31-23(18)33/h11-14,19-21,25,34,39-40H,3-10H2,1-2H3,(H,28,35)(H,29,41)(H,36,37)(H,45,46)(H,47,48)(H2,27,30,31)(H2,42,43,44)/t13-,14+,19+,20+,21-,25+/m0/s1
Synonyms:3-Hydroxyl Glutaryl CoA
Definition date:2010-04-29
Last modified:2021-03-01
Identifier:(3R,5S,9R,21S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,21-tetrahydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide (non-preferred name)
HGI
HGI
Name:MERCURY (II) IODIDE
Formula:Hg I2
SMILES:I[Hg]I
InChi:InChI=1S/Hg.2HI/h
Synonyms:MERCURY DIIODIDE
Definition date:2001-06-20
Last modified:2021-03-01
Identifier:mercury diiodide
07L
07L
Name:7-hydroxy-2H-chromen-2-one
Formula:C9 H6 O3
SMILES:O=C2Oc1cc(O)ccc1C=C2
InChi:InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H
Synonyms:7-hydroxycoumarin
Definition date:2011-09-29
Last modified:2021-03-01
Identifier:7-hydroxy-2H-chromen-2-one
HH0
HH0
Name:methyl N-[(2S)-2-({(S)-hydroxy[(1R)-3-methyl-1-{[N-(3-methylbutanoyl)-L-valyl-L-valyl]amino}butyl]phosphoryl}oxy)-3-phenylpropanoyl]-L-alanyl-L-alaninate
Formula:C36 H60 N5 O10 P
SMILES:O=C(OC)C(NC(=O)C(NC(=O)C(OP(=O)(O)C(NC(=O)C(NC(=O)C(NC(=O)CC(C)C)C(C)C)C(C)C)CC(C)C)Cc1ccccc1)C)C
InChi:InChI=1S/C36H60N5O10P/c1-20(2)17-28(42)39-30(22(5)6)35(46)41-31(23(7)8)34(45)40-29(18-21(3)4)52(48,49)51-27(19-26-15-13-12-14-16-26)33(44)37-24(9)32(43)38-25(10)36(47)50-11/h12-16,20-25,27,29-31H,17-19H2,1-11H3,(H,37,44)(H,38,43)(H,39,42)(H,40,45)(H,41,46)(H,48,49)/t24-,25-,27-,29+,30-,31-/m0/s1
Synonyms:IVA-VAL-VAL-LEU(P)-(O)PHE-ALA-ALA-OME
Definition date:2010-11-02
Last modified:2021-03-01
Identifier:methyl N-[(2S)-2-({(S)-hydroxy[(1R)-3-methyl-1-{[N-(3-methylbutanoyl)-L-valyl-L-valyl]amino}butyl]phosphoryl}oxy)-3-phenylpropanoyl]-L-alanyl-L-alaninate
HH2
HH2
Name:6-HYDROXYMETHYLPTERIN-DIPHOSPHATE
Formula:C7 H9 N5 O8 P2
SMILES:O=P(O)(O)OP(=O)(O)OCc1nc2C(=O)NC(=Nc2nc1)N
InChi:InChI=1S/C7H9N5O8P2/c8-7-11-5-4(6(13)12-7)10-3(1-9-5)2-19-22(17,18)20-21(14,15)16/h1H,2H2,(H,17,18)(H2,14,15,16)(H3,8,9,11,12,13)
Synonyms:[PTERIN-6-YL METHANYL]-PHOSPHONOPHOSPHATE
Definition date:2000-12-21
Last modified:2021-03-01
Identifier:(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl trihydrogen diphosphate
08P
08P
Name:N-(carboxycarbonyl)-D-cysteine
Formula:C5 H7 N O5 S
SMILES:O=C(C(=O)O)NC(C(=O)O)CS
InChi:InChI=1S/C5H7NO5S/c7-3(5(10)11)6-2(1-12)4(8)9/h2,12H,1H2,(H,6,7)(H,8,9)(H,10,11)/t2-/m1/s1
Synonyms:N-oxalyl-D-cysteine
Definition date:2011-10-17
Last modified:2021-03-01
Identifier:N-(carboxycarbonyl)-D-cysteine

245011

數據於2025-11-19公開中

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