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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
TS2
TS2
Name:2-AMINO-4-[4-(4-AMINO-4-CARBOXY-BUTYRYLAMINO)-5,8,19,22-TETRAOXO-1,2-DITHIA-6,9,13,18,21-PENTAAZA-CYCLOTETRACOS-23-YLCARBAMOYL]-BUTYRIC ACID
Formula:C27 H47 N9 O10 S2
SMILES:O=C(O)C(N)CCC(=O)NC1C(=O)NCC(=O)NCCCCNCCCNC(=O)CNC(=O)C(NC(=O)CCC(C(=O)O)N)CSSC1
InChi:InChI=1S/C27H47N9O10S2/c28-16(26(43)44)4-6-20(37)35-18-14-47-48-15-19(36-21(38)7-5-17(29)27(45)46)25(42)34-13-23(40)32-11-3-9-30-8-1-2-10-31-22(39)12-33-24(18)41/h16-19,30H,1-15,28-29H2,(H,31,39)(H,32,40)(H,33,41)(H,34,42)(H,35,37)(H,36,38)(H,43,44)(H,45,46)/t16-,17-,18-,19-/m0/s1
Synonyms:RING WITH GLUTATHIONE AND SPERMIDINE
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:(2S,2'S)-5,5'-{[(4R,23R)-5,8,19,22-tetraoxo-1,2-dithia-6,9,13,18,21-pentaazacyclotetracosane-4,23-diyl]diimino}bis(2-amino-5-oxopentanoic acid) (non-preferred name)
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
TSX
TSX
Name:N-[4-(1-ALLYL-3-BUTYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YLMETHYL)-PHENYL]-ACETAMIDE
Formula:C21 H25 N5 O3
SMILES:O=C(Nc1ccc(cc1)Cc3nc2N(C(=O)N(C(=O)c2n3)CC=C)CCCC)C
InChi:InChI=1S/C21H25N5O3/c1-4-6-12-25-19-18(20(28)26(11-5-2)21(25)29)23-17(24-19)13-15-7-9-16(10-8-15)22-14(3)27/h5,7-10H,2,4,6,11-13H2,1,3H3,(H,22,27)(H,23,24)
Synonyms:1-ALLYL-3-BUTYL-8-(N-ACETYL-4-AMINOBENZYL)-XANTHINE
Definition date:2002-07-09
Last modified:2021-03-01
Identifier:N-{4-[(3-butyl-2,6-dioxo-1-prop-2-en-1-yl-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl]phenyl}acetamide
TTF
TTF
Name:4,4,4-TRIFLUORO-1-THIEN-2-YLBUTANE-1,3-DIONE
Formula:C8 H5 F3 O2 S
SMILES:O=C(c1sccc1)CC(=O)C(F)(F)F
InChi:InChI=1S/C8H5F3O2S/c9-8(10,11)7(13)4-5(12)6-2-1-3-14-6/h1-3H,4H2
Synonyms:2-THENOYLTRIFLUOROACETONE
Definition date:2005-05-18
Last modified:2021-03-01
Identifier:4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-dione
TTG
TTG
Name:2-(1-DIMETHYLAMINOMETHYL-2-HYDROXY-8-HYDROXYMETHYL-9-OXO-9,11-DIHYDRO-INDOLIZINO[1,2-B]QUINOLIN-7-YL)-2-HYDROXY-BUTYRIC ACID
Formula:C23 H25 N3 O6
SMILES:O=C(O)C(O)(C=4C=C3c2nc1ccc(O)c(c1cc2CN3C(=O)C=4CO)CN(C)C)CC
InChi:InChI=1S/C23H25N3O6/c1-4-23(32,22(30)31)16-8-18-20-12(9-26(18)21(29)15(16)11-27)7-13-14(10-25(2)3)19(28)6-5-17(13)24-20/h5-8,27-28,32H,4,9-11H2,1-3H3,(H,30,31)/t23-/m0/s1
Synonyms:HYDROLYZED PRODUCT OF TOPOTECAN
Definition date:2002-01-15
Last modified:2021-03-01
Identifier:(2S)-2-{1-[(dimethylamino)methyl]-2-hydroxy-8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl}-2-hydroxybutanoic acid
TTI
TTI
Name:2'-deoxy-5-telluroxouridine 5'-(dihydrogen phosphate)
Formula:C9 H13 N2 O8 P Te
SMILES:[Te]=C2C(=O)NC(=O)N(C1OC(C(O)C1)COP(=O)(O)O)C2
InChi:InChI=1S/C9H13N2O8PTe/c12-4-1-7(19-5(4)3-18-20(15,16)17)11-2-6(21)8(13)10-9(11)14/h4-5,7,12H,1-3H2,(H,10,13,14)(H2,15,16,17)/t4-,5+,7+/m0/s1
Synonyms:5-Tellurium-deoxyuridine-5'-phosphate
Definition date:2008-12-03
Last modified:2021-03-01
Identifier:2'-deoxy-5-telluroxouridine 5'-(dihydrogen phosphate)
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
TUX
TUX
Name:1,5-ANHYDRO-2-C-(CARBOXYMETHYL-N-HYDROXYAMIDE)-2-DEOXY-3-O-MYRISTOYL-D-GLUCITOL
Formula:C22 H41 N O7
SMILES:O=C(NO)CC1C(OC(=O)CCCCCCCCCCCCC)C(O)C(OC1)CO
InChi:InChI=1S/C22H41NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(26)30-22-17(14-19(25)23-28)16-29-18(15-24)21(22)27/h17-18,21-22,24,27-28H,2-16H2,1H3,(H,23,25)/t17-,18+,21+,22+/m0/s1
Synonyms:TU-514
Definition date:2003-03-18
Last modified:2021-03-01
Identifier:1,5-anhydro-2-deoxy-2-[2-(hydroxyamino)-2-oxoethyl]-3-O-tetradecanoyl-D-glucitol
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
HMD
HMD
Name:4-(5-AMINO-4-OXO-4H-PYRAZOL-3-YL)-2-BROMO-4,5,6,7-TETRAHYDRO-3AH-PYRROLO[2,3-C]AZEPIN-8-ONE
Formula:C11 H10 Br N5 O2
SMILES:O=C1N=C(N=C1C3CCNC(=O)C2=NC(Br)=CC23)N
InChi:InChI=1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3-5H,1-2H2,(H,14,18)(H2,13,17,19)/t4-,5-/m0/s1
Synonyms:HYMENIALDISINE
Definition date:1999-12-16
Last modified:2021-03-01
Identifier:(3aR,4S)-4-(2-amino-4-oxo-4H-imidazol-5-yl)-2-bromo-4,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8(3aH)-one
TWO
TWO
Name:3,4-dimethoxybenzoic acid
Formula:C9 H10 O4
SMILES:O=C(O)c1cc(OC)c(OC)cc1
InChi:InChI=1S/C9H10O4/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3,(H,10,11)
Synonyms:VERATRIC ACID
Definition date:2012-04-09
Last modified:2021-03-01
Release date:2013-02-15
Identifier:3,4-dimethoxybenzoic acid
HNJ
HNJ
Name:3-{[2-(pyrrolidin-1-yl)phenyl]amino}-1H-1lambda~6~,2-benzothiazole-1,1-dione
Formula:C17 H17 N3 O2 S
SMILES:C1CN(CC1)c2c(cccc2)NC=4c3c(cccc3)S(=O)(=O)N=4
InChi:InChI=1S/C17H17N3O2S/c21-23(22)16-10-4-1-7-13(16)17(19-23)18-14-8-2-3-9-15(14)20-11-5-6-12-20/h1-4,7-10H,5-6,11-12H2,(H,18,19)
Synonyms:(3-Chloro-Phenyl)-acetic acid (S)-1-(2-tert-butoxycarbonylamino-acetyl)-pyrrolidin-2-ylmethyl ester
Definition date:2018-07-16
Last modified:2021-03-01
Release date:2019-02-13
Identifier:3-{[2-(pyrrolidin-1-yl)phenyl]amino}-1H-1lambda~6~,2-benzothiazole-1,1-dione
HNK
HNK
Name:5-[(2R)-1-methylpyrrolidin-2-yl]pyridin-2-ol
Formula:C10 H14 N2 O
SMILES:n1cc(ccc1O)C2N(C)CCC2
InChi:InChI=1S/C10H14N2O/c1-12-6-2-3-9(12)8-4-5-10(13)11-7-8/h4-5,7,9H,2-3,6H2,1H3,(H,11,13)/t9-/m1/s1
Synonyms:6-hydroxy-D-nicotine
Definition date:2010-06-17
Last modified:2021-03-01
Identifier:5-[(2R)-1-methylpyrrolidin-2-yl]pyridin-2-ol
HNL
HNL
Name:5-[(2S)-1-methylpyrrolidin-2-yl]pyridin-2-ol
Formula:C10 H14 N2 O
SMILES:n1cc(ccc1O)C2N(C)CCC2
InChi:InChI=1S/C10H14N2O/c1-12-6-2-3-9(12)8-4-5-10(13)11-7-8/h4-5,7,9H,2-3,6H2,1H3,(H,11,13)/t9-/m0/s1
Synonyms:6-hydroxy-L-nicotine
Definition date:2009-10-14
Last modified:2021-03-01
Identifier:5-[(2S)-1-methylpyrrolidin-2-yl]pyridin-2-ol
TXF
TXF
Name:(Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL
Formula:C27 H31 N O3
SMILES:O(c1ccc(cc1)/C(c2ccc(O)cc2)=C(c3ccccc3)CCCO)CCN(C)C
InChi:InChI=1S/C27H31NO3/c1-28(2)18-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-19-29)21-7-4-3-5-8-21/h3-5,7-8,10-17,29-30H,6,9,18-20H2,1-2H3/b27-26-
Synonyms:GSK5182
Definition date:2005-11-16
Last modified:2021-03-01
Identifier:4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-5-hydroxy-2-phenylpent-1-en-1-yl]phenol
HOE
HOE
Name:2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
Formula:C25 H25 N6 O
SMILES:Oc1ccc(cc1)c3nc2ccc(cc2n3)c6nc4c(cc(cc4)N5CC[NH+](CC5)C)n6
InChi:InChI=1S/C25H24N6O/c1-30-10-12-31(13-11-30)18-5-9-21-23(15-18)29-25(27-21)17-4-8-20-22(14-17)28-24(26-20)16-2-6-19(32)7-3-16/h2-9,14-15,32H,10-13H2,1H3,(H,26,28)(H,27,29)/p+1
Synonyms:HOECHST 33258
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:4-[2'-(4-hydroxyphenyl)-1H,3'H-2,5'-bibenzimidazol-6-yl]-1-methylpiperazin-1-ium
HOP
HOP
Name:(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-5-PHENYL-1-CYCLOHEXANOL
Formula:C23 H27 N O4
SMILES:O=C(O)CCCNC(=O)c1ccc(cc1)C3CCC(c2ccccc2)CC3O
InChi:InChI=1S/C23H27NO4/c25-21-15-19(16-5-2-1-3-6-16)12-13-20(21)17-8-10-18(11-9-17)23(28)24-14-4-7-22(26)27/h1-3,5-6,8-11,19-21,25H,4,7,12-15H2,(H,24,28)(H,26,27)/t19-,20+,21-/m0/s1
Synonyms:OXY-COPE-HAPTEN
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:4-[({4-[(1R,2S,4S)-2-hydroxy-4-phenylcyclohexyl]phenyl}carbonyl)amino]butanoic acid
HP1
HP1
Name:~{N}-[5-[[5-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxidanylidene-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-4-oxidanyl-pyrrol-3-yl]-1-methyl-imidazole-2-carboxamide
Formula:C31 H41 N11 O6
SMILES:CN(C)CCCNC(=O)CCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3n(C)cc(NC(=O)c4nccn4C)c3O)cn2C)cn1C
InChi:InChI=1S/C31H41N11O6/c1-38(2)12-7-9-32-24(43)8-10-34-28(45)22-14-19(16-40(22)4)35-29(46)23-15-20(17-41(23)5)36-30(47)25-26(44)21(18-42(25)6)37-31(48)27-33-11-13-39(27)3/h11,13-18,44H,7-10,12H2,1-6H3,(H,32,43)(H,34,45)(H,35,46)(H,36,47)(H,37,48)
Synonyms:IMIDAZOLE-HYDROXYPYRROLE-PYRROLE-PYRROLE-BETA ALANINE-DIMETHYLAMINO PROPYLAMIDE
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:~{N}-[5-[[5-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxidanylidene-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-4-oxidanyl-pyrrol-3-yl]-1-methyl-imidazole-2-carboxamide
HP2
HP2
Name:HYDROXYPYRROLE-IMIDAZOLE-PYRROLE POLYAMIDE
Formula:C31 H41 N11 O6
SMILES:O=C(Nc3cc(C(=O)Nc2c(O)c(C(=O)Nc1cc(C(=O)NCCC(=O)NCCCN(C)C)n(c1)C)n(c2)C)n(c3)C)c4nccn4C
InChi:InChI=1S/C31H41N11O6/c1-38(2)12-7-9-32-24(43)8-10-34-28(45)22-14-19(16-40(22)4)35-30(47)25-26(44)21(18-42(25)6)37-29(46)23-15-20(17-41(23)5)36-31(48)27-33-11-13-39(27)3/h11,13-18,44H,7-10,12H2,1-6H3,(H,32,43)(H,34,45)(H,35,47)(H,36,48)(H,37,46)
Synonyms:IMIDAZOLE-PYRROLE-HYDROXYPYRROLE-PYRROLE-BETA ALANINE-DIMETHYLAMINO PROPYLAMIDE
Definition date:2000-07-25
Last modified:2021-03-01
Identifier:N-(5-{[5-({5-[(3-{[3-(dimethylamino)propyl]amino}-3-oxopropyl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}carbamoyl)-4-hydroxy-1-methyl-1H-pyrrol-3-yl]carbamoyl}-1-methyl-1H-pyrrol-3-yl)-1-methyl-1H-imidazole-2-carboxamide
BCH
BCH
Name:2-(BUTYRYLSULFANYL)-N,N,N-TRIMETHYLETHANAMINIUM
Formula:C9 H20 N O S
SMILES:O=C(SCC[N+](C)(C)C)CCC
InChi:InChI=1S/C9H20NOS/c1-5-6-9(11)12-8-7-10(2,3)4/h5-8H2,1-4H3/q+1
Synonyms:BUTYRYLTHIOCHOLINE
Definition date:2003-04-17
Last modified:2021-03-01
Identifier:2-(butanoylsulfanyl)-N,N,N-trimethylethanaminium
U04
U04
Name:({3-[1-(4-HYDROXY-2-OXO-2H-CHROMEN-3-YL)-PROPYL]-PHENYLCARBAMOYL}-METHYL)-CARBAMIC ACID TERT-BUTYL ESTER
Formula:C25 H28 N2 O6
SMILES:O=C(OC(C)(C)C)NCC(=O)Nc1cccc(c1)C(C2=C(O)c3c(OC2=O)cccc3)CC
InChi:InChI=1S/C25H28N2O6/c1-5-17(21-22(29)18-11-6-7-12-19(18)32-23(21)30)15-9-8-10-16(13-15)27-20(28)14-26-24(31)33-25(2,3)4/h6-13,17,29H,5,14H2,1-4H3,(H,26,31)(H,27,28)/t17-/m0/s1
Synonyms:U097410
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:tert-butyl [2-({3-[(1S)-1-(4-hydroxy-2-oxo-2H-chromen-3-yl)propyl]phenyl}amino)-2-oxoethyl]carbamate
U05
U05
Name:6,11-DIHYDRO-11-ETHYL-6-METHYL-9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-5-ONE
Formula:C15 H14 N4 O3
SMILES:[O-][N+](=O)c2ccc3N(C(=O)c1cccnc1N(c3c2)CC)C
InChi:InChI=1S/C15H14N4O3/c1-3-18-13-9-10(19(21)22)6-7-12(13)17(2)15(20)11-5-4-8-16-14(11)18/h4-9H,3H2,1-2H3
Synonyms:1051U91
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:11-ethyl-6-methyl-9-nitro-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-one
256
256
Name:PHENYL(SULFO)ACETIC ACID
Formula:C8 H8 O5 S
SMILES:O=S(=O)(O)C(C(=O)O)c1ccccc1
InChi:InChI=1S/C8H8O5S/c9-8(10)7(14(11,12)13)6-4-2-1-3-5-6/h1-5,7H,(H,9,10)(H,11,12,13)/t7-/m1/s1
Synonyms:RU79256
Definition date:2003-06-20
Last modified:2021-03-01
Identifier:(2R)-phenyl(sulfo)ethanoic acid

234440

數據於2025-04-09公開中

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