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HGM
HGM
表記:(2R)-2-(4-hydroxyphenyl)-2-(methylamino)ethanoic acid
組成式:C9 H11 N O3
SMILES:CN[CH](C(O)=O)c1ccc(O)cc1
InChi:InChI=1S/C9H11NO3/c1-10-8(9(12)13)6-2-4-7(11)5-3-6/h2-5,8,10-11H,1H3,(H,12,13)/t8-/m1/s1
定義日:2012-03-05
最終更新日:2024-09-27
識別子（ID）:(2R)-2-(4-hydroxyphenyl)-2-(methylamino)ethanoic acid
HGW
HGW
表記:5-iodanylpyrimidine
組成式:C4 H3 I N2
SMILES:Ic1cncnc1
InChi:InChI=1S/C4H3IN2/c5-4-1-6-3-7-2-4/h1-3H
定義日:2018-12-06
最終更新日:2024-09-27
公開日:2019-03-20
識別子（ID）:5-iodanylpyrimidine
HGY
HGY
表記:(2S)-amino(hydroxy)ethanoic acid
組成式:C2 H5 N O3
SMILES:O=C(O)C(O)N
InChi:InChI=1S/C2H5NO3/c3-1(4)2(5)6/h1,4H,3H2,(H,5,6)/t1-/m0/s1
別名:2-hydroxyglycine
定義日:2014-04-10
最終更新日:2024-09-27
公開日:2014-07-23
識別子（ID）:(2S)-amino(hydroxy)ethanoic acid
3CD
3CD
表記:3-(CHLOROACETYL) PYRIDINE ADENINE DINUCLEOTIDE
組成式:C22 H28 Cl N6 O14 P2
SMILES:Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)[n+]5cccc(c5)C(=O)CCl)[CH](O)[CH]3O
InChi:InChI=1S/C22H27ClN6O14P2/c23-4-11(30)10-2-1-3-28(5-10)21-17(33)15(31)12(41-21)6-39-44(35,36)43-45(37,38)40-7-13-16(32)18(34)22(42-13)29-9-27-14-19(24)25-8-26-20(14)29/h1-3,5,8-9,12-13,15-18,21-22,31-34H,4,6-7H2,(H3-,24,25,26,35,36,37,38)/p+1/t12-,13-,15-,16-,17-,18-,21-,22-/m1/s1
別名:3-CAPAD
定義日:2010-02-10
最終更新日:2024-09-27
識別子（ID）:[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-[3-(2-chloroethanoyl)pyridin-1-ium-1-yl]-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate
3CF
3CF
表記:3-cyano-L-phenylalanine
組成式:C10 H10 N2 O2
SMILES:O=C(O)C(N)Cc1cccc(C#N)c1
InChi:InChI=1S/C10H10N2O2/c11-6-8-3-1-2-7(4-8)5-9(12)10(13)14/h1-4,9H,5,12H2,(H,13,14)/t9-/m0/s1
定義日:2010-09-07
最終更新日:2024-09-27
識別子（ID）:3-cyano-L-phenylalanine
3CN
3CN
表記:3-AMINOPROPANE
組成式:C3 H9 N
SMILES:NCCC
InChi:InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3
定義日:1999-11-01
最終更新日:2024-09-27
識別子（ID）:propan-1-amine
HHC
HHC
表記:~{N}-[(2~{R})-2,3-bis(azanyl)-3-oxidanylidene-propyl]-2-[(4~{R})-4-methanoyl-4,5-dihydro-1,3-thiazol-2-yl]pyridine-4-carboxamide
組成式:C13 H15 N5 O4 S
SMILES:N[CH](CNC(=O)c1ccnc(c1)C2=N[CH](CS2)C(O)=O)C(N)=O
InChi:InChI=1S/C13H15N5O4S/c14-7(10(15)19)4-17-11(20)6-1-2-16-8(3-6)12-18-9(5-23-12)13(21)22/h1-3,7,9H,4-5,14H2,(H2,15,19)(H,17,20)(H,21,22)/t7-,9+/m1/s1
定義日:2021-01-12
最終更新日:2024-09-27
公開日:2021-04-14
識別子（ID）:(4~{R})-2-[4-[[(2~{R})-2,3-bis(azanyl)-3-oxidanylidene-propyl]carbamoyl]pyridin-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
3CT
3CT
表記:3-chloro-L-tyrosine
組成式:C9 H10 Cl N O3
SMILES:Clc1cc(ccc1O)CC(C(=O)O)N
InChi:InChI=1S/C9H10ClNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1
定義日:2013-12-18
最終更新日:2024-09-27
公開日:2015-08-19
識別子（ID）:3-chloro-L-tyrosine
HHK
HHK
表記:(2S)-2,8-DIAMINOOCTANOIC ACID
組成式:C8 H18 N2 O2
SMILES:O=C(O)C(N)CCCCCCN
InChi:InChI=1S/C8H18N2O2/c9-6-4-2-1-3-5-7(10)8(11)12/h7H,1-6,9-10H2,(H,11,12)/t7-/m0/s1
定義日:2004-12-07
最終更新日:2024-09-27
識別子（ID）:(2S)-2,8-diaminooctanoic acid
HHL
HHL
表記:N-[2-[[5-[[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]methoxy]pyrimidin-2-yl]amino]-3-methyl-phenyl]-2-fluoranyl-prop-2-enamide
組成式:C23 H21 Cl2 F N4 O4
SMILES:COc1cc(OC)c(Cl)c(COc2cnc(Nc3c(C)cccc3NC(=O)C(F)=C)nc2)c1Cl
InChi:InChI=1S/C23H21Cl2FN4O4/c1-12-6-5-7-16(29-22(31)13(2)26)21(12)30-23-27-9-14(10-28-23)34-11-15-19(24)17(32-3)8-18(33-4)20(15)25/h5-10H,2,11H2,1,3-4H3,(H,29,31)(H,27,28,30)
定義日:2021-01-12
最終更新日:2024-09-27
公開日:2021-04-14
識別子（ID）:~{N}-[2-[[5-[[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]methoxy]pyrimidin-2-yl]amino]-3-methyl-phenyl]-2-fluoranyl-prop-2-enamide
3CY
3CY
表記:(3S)-3-[({(2S)-5-[(N-ACETYL-L-ALPHA-ASPARTYL)AMINO]-4-OXO-1,2,4,5,6,7-HEXAHYDROAZEPINO[3,2,1-HI]INDOL-2-YL}CARBONYL)AMINO]-5-(BENZYLSULFANYL)-4-OXOPENTANOIC ACID
組成式:C31 H34 N4 O9 S
SMILES:O=C(O)CC(C(=O)CSCc1ccccc1)NC(=O)C4N3c2c(cccc2CCC(C3=O)NC(=O)C(NC(=O)C)CC(=O)O)C4
InChi:InChI=1S/C31H34N4O9S/c1-17(36)32-23(14-27(40)41)29(42)33-21-11-10-19-8-5-9-20-12-24(35(28(19)20)31(21)44)30(43)34-22(13-26(38)39)25(37)16-45-15-18-6-3-2-4-7-18/h2-9,21-24H,10-16H2,1H3,(H,32,36)(H,33,42)(H,34,43)(H,38,39)(H,40,41)/t21-,22-,23-,24-/m0/s1
定義日:2003-11-24
最終更新日:2024-09-27
識別子（ID）:(3S)-3-[({(2S,5S)-5-[(N-acetyl-L-alpha-aspartyl)amino]-4-oxo-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indol-2-yl}carbonyl)amino]-5-(benzylsulfanyl)-4-oxopentanoic acid
HI5
HI5
表記:2-(BUTYRYLOXY)-1-{[(TETRAHYDROXYPHOSPHORANYL)OXY]METHYL}ETHYL BUTYRATE
組成式:C11 H23 O9 P
SMILES:O=C(OCC(OC(=O)CCC)COP(O)(O)(O)O)CCC
InChi:InChI=1S/C11H23O9P/c1-3-5-10(12)18-7-9(20-11(13)6-4-2)8-19-21(14,15,16)17/h9,14-17H,3-8H2,1-2H3/t9-/m1/s1
定義日:2004-04-02
最終更新日:2024-09-27
識別子（ID）:(2R)-3-[(tetrahydroxy-lambda~5~-phosphanyl)oxy]propane-1,2-diyl dibutanoate
2KK
2KK
表記:N~6~-(4-fluorobenzoyl)-L-lysine
組成式:C13 H17 F N2 O3
SMILES:O=C(c1ccc(F)cc1)NCCCCC(C(=O)O)N
InChi:InChI=1S/C13H17FN2O3/c14-10-6-4-9(5-7-10)12(17)16-8-2-1-3-11(15)13(18)19/h4-7,11H,1-3,8,15H2,(H,16,17)(H,18,19)/t11-/m0/s1
定義日:2013-11-21
最終更新日:2024-09-27
公開日:2014-10-01
識別子（ID）:N~6~-(4-fluorobenzoyl)-L-lysine
HIA
HIA
表記:L-HISTIDINE AMIDE
組成式:C6 H10 N4 O
SMILES:O=C(N)C(N)Cc1cncn1
InChi:InChI=1S/C6H10N4O/c7-5(6(8)11)1-4-2-9-3-10-4/h2-3,5H,1,7H2,(H2,8,11)(H,9,10)/t5-/m0/s1
別名:L-HISTIDINAMIDE
定義日:2003-10-31
最終更新日:2024-09-27
識別子（ID）:L-histidinamide
HIC
HIC
表記:4-METHYL-HISTIDINE
組成式:C7 H11 N3 O2
SMILES:O=C(O)C(N)Cc1ncn(c1)C
InChi:InChI=1S/C7H11N3O2/c1-10-3-5(9-4-10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:1-methyl-L-histidine
2KP
2KP
表記:N~6~-(4-bromobenzoyl)-L-lysine
組成式:C13 H17 Br N2 O3
SMILES:O=C(c1ccc(Br)cc1)NCCCCC(C(=O)O)N
InChi:InChI=1S/C13H17BrN2O3/c14-10-6-4-9(5-7-10)12(17)16-8-2-1-3-11(15)13(18)19/h4-7,11H,1-3,8,15H2,(H,16,17)(H,18,19)/t11-/m0/s1
定義日:2013-11-21
最終更新日:2024-09-27
公開日:2014-10-01
識別子（ID）:N~6~-(4-bromobenzoyl)-L-lysine
2KT
2KT
表記:2-KETOBUTYRIC ACID
組成式:C4 H6 O3
SMILES:O=C(C(=O)O)CC
InChi:InChI=1S/C4H6O3/c1-2-3(5)4(6)7/h2H2,1H3,(H,6,7)
別名:2-OXOBUTANOIC ACID
定義日:2003-12-10
最終更新日:2024-09-27
識別子（ID）:2-oxobutanoic acid
HIN
HIN
表記:(2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL-CHLOROETHYLKETONE
組成式:C16 H21 Cl N2 O3
SMILES:ClCCC(=O)C(NC(=O)C(NC(=O)C)C)Cc1ccccc1
InChi:InChI=1S/C16H21ClN2O3/c1-11(18-12(2)20)16(22)19-14(15(21)8-9-17)10-13-6-4-3-5-7-13/h3-7,11,14H,8-10H2,1-2H3,(H,18,20)(H,19,22)/t11-,14-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:N~2~-acetyl-N-[(1S)-1-benzyl-4-chloro-2-oxobutyl]-L-alaninamide
2KY
2KY
表記:(2S)-amino(cyclopentyl)ethanoic acid
組成式:C7 H13 N O2
SMILES:O=C(O)C(N)C1CCCC1
InChi:InChI=1S/C7H13NO2/c8-6(7(9)10)5-3-1-2-4-5/h5-6H,1-4,8H2,(H,9,10)/t6-/m0/s1
定義日:2013-11-22
最終更新日:2024-09-27
公開日:2018-02-28
識別子（ID）:(2S)-amino(cyclopentyl)ethanoic acid
HIP
HIP
表記:ND1-PHOSPHONOHISTIDINE
組成式:C6 H11 N3 O5 P
SMILES:O=P(O)(O)n1c(c[nH+]c1)CC(C(=O)O)N
InChi:InChI=1S/C6H10N3O5P/c7-5(6(10)11)1-4-2-8-3-9(4)15(12,13)14/h2-3,5H,1,7H2,(H,10,11)(H2,12,13,14)/p+1/t5-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:3-(1-phosphono-1H-imidazol-3-ium-5-yl)-L-alanine
HIQ
HIQ
表記:1-[1,2-DIHYDROXY-1-(HYDROXYMETHYL)ETHYL]-L-HISTIDINE
組成式:C9 H15 N3 O5
SMILES:O=C(O)C(N)Cc1ncn(c1)C(O)(CO)CO
InChi:InChI=1S/C9H15N3O5/c10-7(8(15)16)1-6-2-12(5-11-6)9(17,3-13)4-14/h2,5,7,13-14,17H,1,3-4,10H2,(H,15,16)/t7-/m0/s1
定義日:2006-05-27
最終更新日:2024-09-27
識別子（ID）:1-[1,2-dihydroxy-1-(hydroxymethyl)ethyl]-L-histidine
2L0
2L0
表記:N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-L-leucinamide
組成式:C29 H49 N3 O6
SMILES:O=C(NC(CC(C)C)C(O)C(C)CO)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)CC(C)C
InChi:InChI=1S/C29H49N3O6/c1-18(2)13-23(26(34)21(7)16-33)30-27(35)24(14-19(3)4)31-28(36)25(15-20(5)6)32-29(37)38-17-22-11-9-8-10-12-22/h8-12,18-21,23-26,33-34H,13-17H2,1-7H3,(H,30,35)(H,31,36)(H,32,37)/t21-,23+,24+,25+,26+/m1/s1
別名:PHQ-LEU-LEU-LEU-EPOXYKETONE, bound form
定義日:2013-11-25
最終更新日:2024-09-27
公開日:2014-02-12
識別子（ID）:N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-L-leucinamide
2L4
2L4
表記:1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxoethylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol
組成式:C11 H16 N4 O7
SMILES:O=C1NC(NCC(O)C(O)C(O)CO)=C(N=CC=O)C(=O)N1
InChi:InChI=1S/C11H16N4O7/c16-2-1-12-7-9(14-11(22)15-10(7)21)13-3-5(18)8(20)6(19)4-17/h1-2,5-6,8,17-20H,3-4H2,(H3,13,14,15,21,22)/b12-1+/t5-,6+,8-/m0/s1
別名:5-(2-oxoethylideneamino)-6-D-ribitylaminouracil
定義日:2013-11-25
最終更新日:2024-09-27
公開日:2014-04-16
識別子（ID）:1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxoethylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol
HIW
HIW
表記:(2R,4S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-[(2-{[(Z)-iminomethyl]amino}ethyl)sulfanyl]-3,4-dihydro-2H-pyrrole-5-ca rboxylic acid
組成式:C12 H19 N3 O5 S
SMILES:O=C(O)C1=NC(CC1SCCN[C@H]=N)C(C(O)=O)C(O)C
InChi:InChI=1S/C12H19N3O5S/c1-6(16)9(11(17)18)7-4-8(10(15-7)12(19)20)21-3-2-14-5-13/h5-9,16H,2-4H2,1H3,(H2,13,14)(H,17,18)(H,19,20)/t6-,7-,8+,9-/m1/s1
別名:Hydrolyzed Imipenem
定義日:2015-12-24
最終更新日:2024-09-27
公開日:2016-05-11
識別子（ID）:(2R,4S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-[(2-{[(Z)-iminomethyl]amino}ethyl)sulfanyl]-3,4-dihydro-2H-pyrrole-5-carboxylic acid
2L5
2L5
表記:2-chloro-L-phenylalanine
組成式:C9 H10 Cl N O2
SMILES:Clc1ccccc1CC(C(=O)O)N
InChi:InChI=1S/C9H10ClNO2/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
定義日:2013-11-25
最終更新日:2024-09-27
公開日:2014-10-15
識別子（ID）:2-chloro-L-phenylalanine

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