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MGG
MGG
表記:2-(2-CARBOXY-ACETYLAMINO)-5-GUANIDINO-PENTANOIC ACID
組成式:C9 H17 N4 O5
SMILES:O=C(NC(C(=O)O)CCCNC(=[NH2+])N)CC(=O)O
InChi:InChI=1S/C9H16N4O5/c10-9(11)12-3-1-2-5(8(17)18)13-6(14)4-7(15)16/h5H,1-4H2,(H,13,14)(H,15,16)(H,17,18)(H4,10,11,12)/p+1/t5-/m1/s1
別名:D-ARGININE WITH 3-OXO-PROPIONIC ACID MODIFICATION
定義日:1999-08-25
最終更新日:2024-09-27
識別子（ID）:amino({(4R)-4-carboxy-4-[(carboxyacetyl)amino]butyl}amino)methaniminium
MGN
MGN
表記:2-METHYL-GLUTAMINE
組成式:C6 H12 N2 O3
SMILES:O=C(N)CCC(N)(C(=O)O)C
InChi:InChI=1S/C6H12N2O3/c1-6(8,5(10)11)3-2-4(7)9/h2-3,8H2,1H3,(H2,7,9)(H,10,11)/t6-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:2-methyl-L-glutamine
MH0
MH0
表記:Mesoheme
組成式:C34 H36 Fe N4 O4
SMILES:O=C(O)CCC1=C(C2=CC=6C(=C(C5=CC=4C(=C(C3=CC=7C(=C(C8=CC1=N2[Fe](N3=4)(N5=6)N=78)CCC(=O)O)C)C)CC)C)CC)C
InChi:InChI=1S/C34H36N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25
定義日:2013-05-03
最終更新日:2024-09-27
公開日:2013-07-03
識別子（ID）:[3,3'-(7,12-diethyl-3,8,13,17-tetramethylporphine-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)dipropanoic acid]iron
0W0
0W0
表記:(4R,5S,8Z)-8-(2-amino-1,3-thiazol-4-yl)-1-[3-(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)-1,2-oxazol-5-yl]-5-formyl-11,11-dimethyl-1,7-dioxo-4-(sulfoamino)-10-oxa-2,6,9-triazadodec-8-en-12-oic acid
組成式:C22 H24 N8 O13 S2
SMILES:O=C1C=C(N(O)C=C1O)c2noc(c2)C(=O)NCC(NS(=O)(=O)O)C(C=O)NC(=O)C(=NOC(C(=O)O)(C)C)/c3nc(sc3)N
InChi:InChI=1S/C22H24N8O13S2/c1-22(2,20(36)37)43-28-17(12-8-44-21(23)26-12)19(35)25-11(7-31)10(29-45(39,40)41)5-24-18(34)16-3-9(27-42-16)13-4-14(32)15(33)6-30(13)38/h3-4,6-8,10-11,29,33,38H,5H2,1-2H3,(H2,23,26)(H,24,34)(H,25,35)(H,36,37)(H,39,40,41)/b28-17-/t10-,11-/m1/s1
定義日:2012-07-16
最終更新日:2024-09-27
公開日:2012-10-12
識別子（ID）:(4R,5S,8Z)-8-(2-amino-1,3-thiazol-4-yl)-1-[3-(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)-1,2-oxazol-5-yl]-5-formyl-11,11-dimethyl-1,7-dioxo-4-(sulfoamino)-10-oxa-2,6,9-triazadodec-8-en-12-oic acid
MH6
MH6
表記:3-hydroxy-2-iminopropanoic acid
組成式:C3 H5 N O3
SMILES:O=C(O)C(=[N@H])CO
InChi:InChI=1S/C3H5NO3/c4-2(1-5)3(6)7/h4-5H,1H2,(H,6,7)/b4-2+
定義日:2008-03-11
最終更新日:2024-09-27
識別子（ID）:(2E)-3-hydroxy-2-iminopropanoic acid
MH8
MH8
表記:(2S)-2-amino-2-methylhept-6-enoic acid
組成式:C8 H15 N O2
SMILES:O=C(O)C(N)(CCC/C=C)C
InChi:InChI=1S/C8H15NO2/c1-3-4-5-6-8(2,9)7(10)11/h3H,1,4-6,9H2,2H3,(H,10,11)/t8-/m0/s1
定義日:2015-02-04
最終更新日:2024-09-27
公開日:2015-09-09
識別子（ID）:(2S)-2-amino-2-methylhept-6-enoic acid
MH9
MH9
表記:(2E,4E)-DODECA-2,4-DIENOIC ACID
組成式:C12 H20 O2
SMILES:O=C(O)C=CC=CCCCCCCC
InChi:InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h8-11H,2-7H2,1H3,(H,13,14)/b9-8+,11-10+
定義日:2011-03-28
最終更新日:2024-09-27
公開日:2012-08-24
識別子（ID）:(2E,4E)-dodeca-2,4-dienoic acid
0W5
0W5
表記:(2E,4E)-11-methyldodeca-2,4-dienoic acid
組成式:C13 H22 O2
SMILES:O=C(O)C=CC=CCCCCCC(C)C
InChi:InChI=1S/C13H22O2/c1-12(2)10-8-6-4-3-5-7-9-11-13(14)15/h5,7,9,11-12H,3-4,6,8,10H2,1-2H3,(H,14,15)/b7-5+,11-9+
定義日:2012-07-19
最終更新日:2024-09-27
公開日:2012-10-19
識別子（ID）:(2E,4E)-11-methyldodeca-2,4-dienoic acid
0W6
0W6
表記:(4S)-4-aminopentanoic acid
組成式:C5 H11 N O2
SMILES:O=C(O)CCC(N)C
InChi:InChI=1S/C5H11NO2/c1-4(6)2-3-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
別名:(2E,4S)-4-aminopent-2-enoic acid, Bound form
定義日:2012-07-19
最終更新日:2024-09-27
公開日:2012-10-19
識別子（ID）:(4S)-4-aminopentanoic acid
MHC
MHC
表記:3-MERCAPTO-1-(1,3,4,9-TETRAHYDRO-B-CARBOLIN-2-YL)-PROPAN-1-ONE
組成式:C14 H16 N2 O S
SMILES:O=C(N3CCc2c1ccccc1nc2C3)CCS
InChi:InChI=1S/C14H16N2OS/c17-14(6-8-18)16-7-5-11-10-3-1-2-4-12(10)15-13(11)9-16/h1-4,15,18H,5-9H2
定義日:2002-12-06
最終更新日:2024-09-27
識別子（ID）:3-oxo-3-(1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl)propane-1-thiol
MHE
MHE
表記:5,5-dimethyl-2-oxohexanoic acid
組成式:C8 H14 O3
SMILES:O=C(C(=O)O)CCC(C)(C)C
InChi:InChI=1S/C8H14O3/c1-8(2,3)5-4-6(9)7(10)11/h4-5H2,1-3H3,(H,10,11)
定義日:2008-06-02
最終更新日:2024-09-27
識別子（ID）:5,5-dimethyl-2-oxohexanoic acid
MHH
MHH
表記:methyl hydrogen (R)-hexylphosphonate
組成式:C7 H17 O3 P
SMILES:O=P(O)(OC)CCCCCC
InChi:InChI=1S/C7H17O3P/c1-3-4-5-6-7-11(8,9)10-2/h3-7H2,1-2H3,(H,8,9)
定義日:2008-01-28
最終更新日:2024-09-27
識別子（ID）:methyl hydrogen (R)-hexylphosphonate
MHL
MHL
表記:N-METHYL-4-HYDROXY-LEUCINE
組成式:C7 H15 N O3
SMILES:O=C(O)C(NC)CC(O)(C)C
InChi:InChI=1S/C7H15NO3/c1-7(2,11)4-5(8-3)6(9)10/h5,8,11H,4H2,1-3H3,(H,9,10)/t5-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:4-hydroxy-N-methyl-L-leucine
MHO
MHO
表記:S-OXYMETHIONINE
組成式:C5 H11 N O3 S
SMILES:O=C(O)C(N)CCS(=O)C
InChi:InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:(2S)-2-amino-4-[(S)-methylsulfinyl]butanoic acid
0WN
0WN
表記:N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)butanamide
組成式:C24 H27 Cl F N5 O3
SMILES:Fc1ccc(cc1Cl)Nc4ncnc3cc(OC2CCOC2)c(cc34)NC(=O)CCCN(C)C
InChi:InChI=1S/C24H27ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h5-6,10-12,14,16H,3-4,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/t16-/m0/s1
別名:Afatinib, bound form
定義日:2012-07-27
最終更新日:2024-09-27
公開日:2012-08-24
識別子（ID）:N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)butanamide
0WO
0WO
表記:(2R,4S)-2-[(R)-carboxy{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carbo xylic acid
組成式:C19 H21 N3 O6 S
SMILES:O=C(NC(C(=O)O)C1SC(C(N1)C(=O)O)(C)C)c3c(onc3c2ccccc2)C
InChi:InChI=1S/C19H21N3O6S/c1-9-11(12(22-28-9)10-7-5-4-6-8-10)15(23)20-13(17(24)25)16-21-14(18(26)27)19(2,3)29-16/h4-8,13-14,16,21H,1-3H3,(H,20,23)(H,24,25)(H,26,27)/t13-,14-,16+/m0/s1
別名:Oxacillin, hydroxylated form
定義日:2012-07-27
最終更新日:2024-09-27
識別子（ID）:(2R,4S)-2-[(R)-carboxy{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
MHS
MHS
表記:N1-METHYLATED HISTIDINE
組成式:C7 H11 N3 O2
SMILES:O=C(O)C(N)Cc1cncn1C
InChi:InChI=1S/C7H11N3O2/c1-10-4-9-3-5(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）:3-methyl-L-histidine
MHT
MHT
表記:(3S)-3-(methylsulfanyl)-1-azabicyclo[2.2.2]octane
組成式:C8 H15 N S
SMILES:S(C2C1CCN(CC1)C2)C
InChi:InChI=1S/C8H15NS/c1-10-8-6-9-4-2-7(8)3-5-9/h7-8H,2-6H2,1H3/t8-/m1/s1
定義日:2010-07-15
最終更新日:2024-09-27
識別子（ID）:(3S)-3-(methylsulfanyl)-1-azabicyclo[2.2.2]octane
MHU
MHU
表記:4-N,N-(DIMETHYLAMINO)-L-PHENYLALANINE
組成式:C12 H18 N2 O2
SMILES:O=C(O)C(NC)Cc1ccc(N(C)C)cc1
InChi:InChI=1S/C12H18N2O2/c1-13-11(12(15)16)8-9-4-6-10(7-5-9)14(2)3/h4-7,11,13H,8H2,1-3H3,(H,15,16)/t11-/m0/s1
定義日:2010-07-15
最終更新日:2024-09-27
識別子（ID）:4-(dimethylamino)-N-methyl-L-phenylalanine
MHV
MHV
表記:4-OXO-L-PIPECOLIC ACID
組成式:C6 H9 N O3
SMILES:O=C(O)C1NCCC(=O)C1
InChi:InChI=1S/C6H9NO3/c8-4-1-2-7-5(3-4)6(9)10/h5,7H,1-3H2,(H,9,10)/t5-/m0/s1
定義日:2010-07-15
最終更新日:2024-09-27
識別子（ID）:(2S)-4-oxopiperidine-2-carboxylic acid
MHW
MHW
表記:3-HYDROXYPICOLINIC ACID
組成式:C6 H5 N O3
SMILES:O=C(O)c1ncccc1O
InChi:InChI=1S/C6H5NO3/c8-4-2-1-3-7-5(4)6(9)10/h1-3,8H,(H,9,10)
定義日:2010-07-15
最終更新日:2024-09-27
識別子（ID）:3-hydroxypyridine-2-carboxylic acid
MHY
MHY
表記:{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
組成式:C15 H15 F2 N3 O5
SMILES:NC(C1=N/C(C(N1CC(O)=O)=O)=Cc2cc(F)c(c(c2)F)O)C(O)C
InChi:InChI=1S/C15H15F2N3O5/c1-6(21)12(18)14-19-10(15(25)20(14)5-11(22)23)4-7-2-8(16)13(24)9(17)3-7/h2-4,6,12,21,24H,5,18H2,1H3,(H,22,23)/b10-4-/t6-,12+/m1/s1
定義日:2019-04-02
最終更新日:2024-09-27
公開日:2020-04-08
識別子（ID）:{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
MHZ
MHZ
表記:5'-DEOXY-5'-[(3-HYDRAZINOPROPYL)METHYLAMINO]ADENOSINE
組成式:C14 H24 N8 O3
SMILES:n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CN(CCCNN)C)N
InChi:InChI=1S/C14H24N8O3/c1-21(4-2-3-20-16)5-8-10(23)11(24)14(25-8)22-7-19-9-12(15)17-6-18-13(9)22/h6-8,10-11,14,20,23-24H,2-5,16H2,1H3,(H2,15,17,18)/t8-,10-,11-,14-/m1/s1
定義日:2001-03-13
最終更新日:2024-09-27
識別子（ID）:5'-deoxy-5'-[(3-hydrazinopropyl)(methyl)amino]adenosine
0WZ
0WZ
表記:3-(1H-pyrazol-1-yl)-L-tyrosine
組成式:C12 H13 N3 O3
SMILES:O=C(O)C(N)Cc1ccc(O)c(c1)n2nccc2
InChi:InChI=1S/C12H13N3O3/c13-9(12(17)18)6-8-2-3-11(16)10(7-8)15-5-1-4-14-15/h1-5,7,9,16H,6,13H2,(H,17,18)/t9-/m0/s1
定義日:2012-08-16
最終更新日:2024-09-27
公開日:2012-08-24
識別子（ID）:3-(1H-pyrazol-1-yl)-L-tyrosine
MIJ
MIJ
表記:(2~{R},3~{S})-3-[[(2~{S})-3-cyclopropyl-2-[2-oxidanylidene-3-(2-phenylethanoylamino)pyridin-1-yl]propanoyl]amino]-~{N}-methyl-2-oxidanyl-4-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butanamide
組成式:C28 H35 N5 O6
SMILES:CNC(=O)[CH](O)[CH](C[CH]1CCNC1=O)NC(=O)[CH](CC2CC2)N3C=CC=C(NC(=O)Cc4ccccc4)C3=O
InChi:InChI=1S/C28H35N5O6/c1-29-27(38)24(35)21(16-19-11-12-30-25(19)36)32-26(37)22(14-18-9-10-18)33-13-5-8-20(28(33)39)31-23(34)15-17-6-3-2-4-7-17/h2-8,13,18-19,21-22,24,35H,9-12,14-16H2,1H3,(H,29,38)(H,30,36)(H,31,34)(H,32,37)/t19-,21-,22-,24+/m0/s1
定義日:2022-07-27
最終更新日:2024-09-27
公開日:2023-08-16
識別子（ID）:(2~{R},3~{S})-3-[[(2~{S})-3-cyclopropyl-2-[2-oxidanylidene-3-(2-phenylethanoylamino)pyridin-1-yl]propanoyl]amino]-~{N}-methyl-2-oxidanyl-4-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butanamide

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