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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
I41
I41
Name:2-[[2-[[(2S)-3-(3H-IMIDAZOL-4-YL)-1-METHOXY-1-OXO-PROPAN-2-YL]AMINO]-2-OXO-ETHYL]-(PHENYLMETHYL)AMINO]ETHANOIC ACID
Formula:C18 H22 N4 O5
SMILES:COC(=O)[CH](Cc1[nH]cnc1)NC(=O)CN(CC(O)=O)Cc2ccccc2
InChi:InChI=1S/C18H22N4O5/c1-27-18(26)15(7-14-8-19-12-20-14)21-16(23)10-22(11-17(24)25)9-13-5-3-2-4-6-13/h2-6,8,12,15H,7,9-11H2,1H3,(H,19,20)(H,21,23)(H,24,25)/t15-/m0/s1
Synonyms:COMPOUND 41367
Definition date:2011-02-28
Last modified:2021-03-01
Identifier:2-[[2-[[(2S)-3-(3H-imidazol-4-yl)-1-methoxy-1-oxo-propan-2-yl]amino]-2-oxo-ethyl]-(phenylmethyl)amino]ethanoic 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
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
I52
I52
Name:N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-SULFAMOYL]-4-PENTYL-BENZAMIDE
Formula:C29 H42 N4 O6 S
SMILES:O=C(c1ccc(cc1)CCCCC)Nc2ccc(cc2)S(=O)(=O)N(CCN3CCOCC3)C(C(=O)NO)C(C)C
InChi:InChI=1S/C29H42N4O6S/c1-4-5-6-7-23-8-10-24(11-9-23)28(34)30-25-12-14-26(15-13-25)40(37,38)33(27(22(2)3)29(35)31-36)17-16-32-18-20-39-21-19-32/h8-15,22,27,36H,4-7,16-21H2,1-3H3,(H,30,34)(H,31,35)/t27-/m1/s1
Synonyms:SC-74020
Definition date:2000-12-19
Last modified:2021-03-01
Identifier:N-(4-{[(1R)-1-(hydroxycarbamoyl)-2-methylpropyl](2-morpholin-4-ylethyl)sulfamoyl}phenyl)-4-pentylbenzamide
I5I
I5I
Name:2-(5-isothiocyanato-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole
Formula:C12 H9 N3 O S
SMILES:S=C=Nc3cc1c(oc(c1)C2=NCCN2)cc3
InChi:InChI=1S/C12H9N3OS/c17-7-15-9-1-2-10-8(5-9)6-11(16-10)12-13-3-4-14-12/h1-2,5-6H,3-4H2,(H,13,14)
Synonyms:2-(imidazolin-2-yl)-5-isothiocyanatobenzofuran
Definition date:2010-12-21
Last modified:2021-03-01
Identifier:2-(5-isothiocyanato-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole
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
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)
I83
I83
Name:bis(chloranyl)-(dimethylamino)-(methylamino)platinum
Formula:C3 H10 Cl2 N2 Pt
SMILES:Cl[Pt](Cl)(NC)N(C)C
InChi:InChI=1S/C2H6N.CH4N.2ClH.Pt/c1-3-2
Synonyms:trans-dimethylamine methylamine dichlorido platinum(II)
Definition date:2014-06-09
Last modified:2021-03-01
Release date:2014-07-30
Identifier:platinum(4+) chloride dimethylazanide methylazanide (1:2:1:1)
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
I84
I84
Name:[2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)-BENZENESULFONYL]-GLYCINE
Formula:C19 H22 N2 O5 S
SMILES:O=C(Nc1cc(c(c(c1)C)S(=O)(=O)NCC(=O)O)C)Cc2ccccc2C
InChi:InChI=1S/C19H22N2O5S/c1-12-6-4-5-7-15(12)10-17(22)21-16-8-13(2)19(14(3)9-16)27(25,26)20-11-18(23)24/h4-9,20H,10-11H2,1-3H3,(H,21,22)(H,23,24)
Synonyms:INHIBITOR IDD 384
Definition date:2000-03-21
Last modified:2021-03-01
Identifier:N-[(2,6-dimethyl-4-{[(2-methylphenyl)acetyl]amino}phenyl)sulfonyl]glycine
KPW
KPW
Name:4-[[4-[5,5-dimethyl-2-(6-methylpyridin-2-yl)-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]pyridin-2-yl]amino]benzenesulfonamide
Formula:C25 H26 N6 O2 S
SMILES:Cc1cccc(n1)c2nn3CC(C)(C)Cc3c2c4ccnc(Nc5ccc(cc5)[S](N)(=O)=O)c4
InChi:InChI=1S/C25H26N6O2S/c1-16-5-4-6-20(28-16)24-23(21-14-25(2,3)15-31(21)30-24)17-11-12-27-22(13-17)29-18-7-9-19(10-8-18)34(26,32)33/h4-13H,14-15H2,1-3H3,(H,27,29)(H2,26,32,33)
Synonyms:I39LT379
Definition date:2019-06-13
Last modified:2021-03-01
Release date:2020-06-03
Identifier:4-[[4-[5,5-dimethyl-2-(6-methylpyridin-2-yl)-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]pyridin-2-yl]amino]benzenesulfonamide
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
HID
HID
Name:(5-hydroxy-1H-indol-3-yl)acetic acid
Formula:C10 H9 N O3
SMILES:OC(=O)Cc1c[nH]c2ccc(O)cc12
InChi:InChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14)
Synonyms:5-hydroxy-indole acetate
Definition date:2010-02-08
Last modified:2021-03-01
Identifier:2-(5-hydroxy-1H-indol-3-yl)ethanoic acid
HJ1
HJ1
Name:N-[2-(3,4-dihydroxyphenyl)ethyl]-beta-alaninamide
Formula:C11 H16 N2 O3
SMILES:C(N)CC(NCCc1cc(c(cc1)O)O)=O
InChi:InChI=1S/C11H16N2O3/c12-5-3-11(16)13-6-4-8-1-2-9(14)10(15)7-8/h1-2,7,14-15H,3-6,12H2,(H,13,16)
Synonyms:beta-alanyl-dopamine
Definition date:2018-07-03
Last modified:2021-03-01
Release date:2019-01-30
Identifier:N-[2-(3,4-dihydroxyphenyl)ethyl]-beta-alaninamide
KTN
KTN
Name:CIS-1-ACETYL-4-(4-((2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHOXY)PHENYL)PIPERAZINE
Formula:C26 H28 Cl2 N4 O4
SMILES:O=C(N5CCN(c4ccc(OCC1OC(OC1)(c2ccc(Cl)cc2Cl)Cn3cncc3)cc4)CC5)C
InChi:InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26+/m0/s1
Synonyms:KETOCONAZOLE
Definition date:2001-09-20
Last modified:2021-03-01
Identifier:1-acetyl-4-(4-{[(2S,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine
KU5
KU5
Name:2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-[2-(phenylsulfonyl)ethyl]-1,6-dihydropyrimidine-4-carboxamide
Formula:C25 H25 Cl N4 O6 S2
SMILES:C=2(NC(C(=C(C(=O)NCCS(c1ccccc1)(=O)=O)N=2)O)=O)C3CCCN3C(CSc4ccccc4Cl)=O
InChi:InChI=1S/C25H25ClN4O6S2/c26-17-9-4-5-11-19(17)37-15-20(31)30-13-6-10-18(30)23-28-21(22(32)25(34)29-23)24(33)27-12-14-38(35,36)16-7-2-1-3-8-16/h1-5,7-9,11,18,32H,6,10,12-15H2,(H,27,33)(H,28,29,34)/t18-/m0/s1
Synonyms:SRI-30024
Definition date:2017-07-11
Last modified:2021-03-01
Release date:2018-01-03
Identifier:2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-[2-(phenylsulfonyl)ethyl]-1,6-dihydropyrimidine-4-carboxamide
HL0
HL0
Name:N-[(3S)-2-oxotetrahydrofuran-3-yl]decanamide
Formula:C14 H25 N O3
SMILES:O=C1OCCC1NC(=O)CCCCCCCCC
InChi:InChI=1S/C14H25NO3/c1-2-3-4-5-6-7-8-9-13(16)15-12-10-11-18-14(12)17/h12H,2-11H2,1H3,(H,15,16)/t12-/m0/s1
Synonyms:N-decanoyl-L-homoserine lactone
Definition date:2011-02-15
Last modified:2021-03-01
Identifier:N-[(3S)-2-oxotetrahydrofuran-3-yl]decanamide
HLW
HLW
Name:3-(3-chlorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine
Formula:C18 H20 Cl N5
SMILES:Clc1cccc(c1)CCCNCCc2nc(ncc2)n3ccnc3
InChi:InChI=1S/C18H20ClN5/c19-16-5-1-3-15(13-16)4-2-8-20-9-6-17-7-10-22-18(23-17)24-12-11-21-14-24/h1,3,5,7,10-14,20H,2,4,6,8-9H2
Synonyms:N-2-(2-(1H-IMIDAZOL-1-YL)PYRIMIDIN-4-YL)ETHYL-3-(3-CHLOROPHENYL)PROPAN-1-AMINE
Definition date:2014-10-21
Last modified:2021-03-01
Release date:2014-12-24
Identifier:3-(3-chlorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine
HM6
HM6
Name:4-(4-(hydroxymethyl)-1h-1,2,3-triazol-1-yl)pyridine-2,6-dicarboxylic acid
Formula:C10 H8 N4 O5
SMILES:O=C(O)c1nc(cc(c1)n2nnc(c2)CO)C(=O)O
InChi:InChI=1S/C10H8N4O5/c15-4-5-3-14(13-12-5)6-1-7(9(16)17)11-8(2-6)10(18)19/h1-3,15H,4H2,(H,16,17)(H,18,19)
Synonyms:HYDROXYMETHYLTRIAZOLE DIPICOLINIC ACID
Definition date:2012-09-13
Last modified:2021-03-01
Release date:2012-11-09
Identifier:4-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]pyridine-2,6-dicarboxylic acid

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數據於2025-07-09公開中

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