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0JY
0JY
表記:4-methyl-L-leucine
組成式:C7 H15 N O2
SMILES:O=C(O)C(N)CC(C)(C)C
InChi:InChI=1S/C7H15NO2/c1-7(2,3)4-5(8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t5-/m0/s1
定義日:2012-08-16
最終更新日:2023-11-03
公開日:2012-10-26
識別子（ID）:4-methyl-L-leucine
0LF
0LF
表記:(4R)-4-(4-phenylbutoxy)-L-proline
組成式:C15 H21 N O3
SMILES:O=C(O)C2NCC(OCCCCc1ccccc1)C2
InChi:InChI=1S/C15H21NO3/c17-15(18)14-10-13(11-16-14)19-9-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,13-14,16H,4-5,8-11H2,(H,17,18)/t13-,14+/m1/s1
定義日:2012-02-14
最終更新日:2023-11-03
識別子（ID）:(4R)-4-(4-phenylbutoxy)-L-proline
0MG
0MG
表記:amino{[(4S)-4-amino-5-carboxy-5-oxopentyl]amino}methaniminium
組成式:C7 H15 N4 O3
SMILES:O=C(C(=O)O)C(N)CCCNC(=[NH2+])N
InChi:InChI=1S/C7H14N4O3/c8-4(5(12)6(13)14)2-1-3-11-7(9)10/h4H,1-3,8H2,(H,13,14)(H4,9,10,11)/p+1/t4-/m0/s1
定義日:2010-09-24
最終更新日:2023-11-03
識別子（ID）:amino{[(4S)-4-amino-5-carboxy-5-oxopentyl]amino}methaniminium
0OB
0OB
表記:3-(1-benzothiophen-2-yl)propanoic acid
組成式:C11 H10 O2 S
SMILES:O=C(O)CCc2sc1ccccc1c2
InChi:InChI=1S/C11H10O2S/c12-11(13)6-5-9-7-8-3-1-2-4-10(8)14-9/h1-4,7H,5-6H2,(H,12,13)
定義日:2012-03-30
最終更新日:2023-11-03
公開日:2012-10-05
識別子（ID）:3-(1-benzothiophen-2-yl)propanoic acid
0QE
0QE
表記:chloromethane
組成式:C H3 Cl
SMILES:ClC
InChi:InChI=1S/CH3Cl/c1-2/h1H3
別名:Chloro Methyl group
定義日:2008-12-08
最終更新日:2023-11-03
識別子（ID）:chloromethane
0QZ
0QZ
表記:D-Isoserine
組成式:C3 H7 N O3
SMILES:O=C(O)C(O)CN
InChi:InChI=1S/C3H7NO3/c4-1-2(5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m1/s1
別名:(2R)-3-amino-2-hydroxypropanoic acid
定義日:2012-08-23
最終更新日:2023-11-03
公開日:2014-05-07
識別子（ID）:(2R)-3-amino-2-hydroxypropanoic acid
0TD
0TD
表記:(3S)-3-(methylsulfanyl)-L-aspartic acid
組成式:C5 H9 N O4 S
SMILES:O=C(O)C(N)C(SC)C(=O)O
InChi:InChI=1S/C5H9NO4S/c1-11-3(5(9)10)2(6)4(7)8/h2-3H,6H2,1H3,(H,7,8)(H,9,10)/t2-,3-/m0/s1
定義日:2012-02-22
最終更新日:2023-11-03
公開日:2012-11-09
識別子（ID）:(3S)-3-(methylsulfanyl)-L-aspartic acid
0UO
0UO
表記:4-methoxy-L-tryptophan
組成式:C12 H14 N2 O3
SMILES:O=C(O)C(N)Cc2c1c(cccc1OC)nc2
InChi:InChI=1S/C12H14N2O3/c1-17-10-4-2-3-9-11(10)7(6-14-9)5-8(13)12(15)16/h2-4,6,8,14H,5,13H2,1H3,(H,15,16)/t8-/m0/s1
定義日:2012-06-20
最終更新日:2023-11-03
公開日:2012-09-21
識別子（ID）:4-methoxy-L-tryptophan
E2G
E2G
表記:(2R)-N-[(4-{2-[(acetylamino)methyl]phenyl}-5-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-amino-2-hydroxyacetamide
組成式:C15 H20 N6 O3
SMILES:C(NC(C(N)O)=O)c1nnc(C)n1c2c(cccc2)CNC(C)=O
InChi:InChI=1S/C15H20N6O3/c1-9-19-20-13(8-18-15(24)14(16)23)21(9)12-6-4-3-5-11(12)7-17-10(2)22/h3-6,14,23H,7-8,16H2,1-2H3,(H,17,22)(H,18,24)/t14-/m1/s1
定義日:2017-11-27
最終更新日:2023-11-03
公開日:2017-12-27
識別子（ID）:(2R)-N-[(4-{2-[(acetylamino)methyl]phenyl}-5-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-amino-2-hydroxyacetamide
E5X
E5X
表記:4-(hydroxymethyl)benzoic acid
組成式:C8 H8 O3
SMILES:OCc1ccc(cc1)C(O)=O
InChi:InChI=1S/C8H8O3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9H,5H2,(H,10,11)
定義日:2019-10-24
最終更新日:2023-11-03
公開日:2020-07-15
識別子（ID）:4-(hydroxymethyl)benzoic acid
E6F
E6F
表記:(1~{S},2~{S})-2-azanylcyclohexane-1-carboxylic acid
組成式:C7 H13 N O2
SMILES:N[CH]1CCCC[CH]1C(O)=O
InChi:InChI=1S/C7H13NO2/c8-6-4-2-1-3-5(6)7(9)10/h5-6H,1-4,8H2,(H,9,10)/t5-,6-/m0/s1
定義日:2019-10-29
最終更新日:2023-11-03
公開日:2020-09-02
識別子（ID）:(1~{S},2~{S})-2-azanylcyclohexane-1-carboxylic acid
E7P
E7P
表記:(2S)-2-amino-4-phosphonobutanoic acid
組成式:C4 H10 N O5 P
SMILES:OP(=O)(CCC(C(O)=O)N)O
InChi:InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m0/s1
定義日:2017-12-06
最終更新日:2023-11-03
公開日:2018-02-07
識別子（ID）:(2S)-2-amino-4-phosphonobutanoic acid
E95
E95
表記:7-Methyl-L-Tryptophan
組成式:C12 H14 N2 O2
SMILES:Cc1cccc2c(C[CH](N)C(O)=O)c[nH]c12
InChi:InChI=1S/C12H14N2O2/c1-7-3-2-4-9-8(6-14-11(7)9)5-10(13)12(15)16/h2-4,6,10,14H,5,13H2,1H3,(H,15,16)/t10-/m0/s1
定義日:2018-03-06
最終更新日:2023-11-03
公開日:2019-02-13
識別子（ID）:(2~{S})-2-azanyl-3-(7-methyl-1~{H}-indol-3-yl)propanoic acid
E9C
E9C
表記:(2S)-2-azanyl-3-[3,4,6-tris(oxidanylidene)cyclohexen-1-yl]propanoic acid
組成式:C9 H9 N O5
SMILES:N[CH](CC1=CC(=O)C(=O)C(C1=O)([2H])[2H])C(O)=O
InChi:InChI=1S/C9H9NO5/c10-5(9(14)15)1-4-2-7(12)8(13)3-6(4)11/h2,5H,1,3,10H2,(H,14,15)/t5-/m0/s1/i3D2
定義日:2019-11-22
最終更新日:2023-11-03
公開日:2020-04-29
識別子（ID）:(2~{S})-2-azanyl-3-[3,4,6-tris(oxidanylidene)cyclohexen-1-yl]propanoic acid
E9M
E9M
表記:N-methyl-L-tryptophan
組成式:C12 H14 N2 O2
SMILES:N(C)C(Cc1cnc2c1cccc2)C(=O)O
InChi:InChI=1S/C12H14N2O2/c1-13-11(12(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,13-14H,6H2,1H3,(H,15,16)/t11-/m0/s1
定義日:2017-12-14
最終更新日:2023-11-03
公開日:2018-12-19
識別子（ID）:N-methyl-L-tryptophan
ECC
ECC
表記:(4S)-4-amino-5-hydroxypentanamide
組成式:C5 H12 N2 O2
SMILES:O=C(N)CCC(N)CO
InChi:InChI=1S/C5H12N2O2/c6-4(3-8)1-2-5(7)9/h4,8H,1-3,6H2,(H2,7,9)/t4-/m0/s1
定義日:2011-07-21
最終更新日:2023-11-03
識別子（ID）:(4S)-4-amino-5-hydroxypentanamide
ECQ
ECQ
表記:(3S)-3-[(2S)-2-AMINO-3-HYDROXYBUTYL]PYRROLIDIN-2-ONE
組成式:C8 H16 N2 O2
SMILES:O=C1NCCC1CC(N)C(O)C
InChi:InChI=1S/C8H16N2O2/c1-5(11)7(9)4-6-2-3-10-8(6)12/h5-7,11H,2-4,9H2,1H3,(H,10,12)/t5-,6+,7+/m1/s1
定義日:2007-06-07
最終更新日:2023-11-03
識別子（ID）:(3S)-3-[(2S,3R)-2-amino-3-hydroxybutyl]pyrrolidin-2-one
ECX
ECX
表記:S-ethyl-L-cysteine
組成式:C5 H11 N O2 S
SMILES:O=C(O)C(N)CSCC
InChi:InChI=1S/C5H11NO2S/c1-2-9-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
定義日:2009-09-28
最終更新日:2023-11-03
識別子（ID）:S-ethyl-L-cysteine
EDN
EDN
表記:ETHANE-1,2-DIAMINE
組成式:C2 H8 N2
SMILES:NCCN
InChi:InChI=1S/C2H8N2/c3-1-2-4/h1-4H2
別名:ETHYLENEDIAMINE
定義日:2010-11-15
最終更新日:2023-11-03
識別子（ID）:ethane-1,2-diamine
EE0
EE0
表記:(2~{R})-2-azanylpentanoic acid
組成式:C5 H11 N O2
SMILES:CCC[CH](N)C(O)=O
InChi:InChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1
定義日:2019-12-13
最終更新日:2023-11-03
公開日:2020-10-28
識別子（ID）:(2~{R})-2-azanylpentanoic acid
EE3
EE3
表記:(2~{S})-2-azanyl-6-(1,3-oxazol-5-ylcarbonylamino)hexanoic acid
組成式:C10 H15 N3 O4
SMILES:N[CH](CCCCNC(=O)c1ocnc1)C(O)=O
InChi:InChI=1S/C10H15N3O4/c11-7(10(15)16)3-1-2-4-13-9(14)8-5-12-6-17-8/h5-7H,1-4,11H2,(H,13,14)(H,15,16)/t7-/m0/s1
定義日:2019-12-13
最終更新日:2023-11-03
公開日:2020-10-28
識別子（ID）:(2~{S})-2-azanyl-6-(1,3-oxazol-5-ylcarbonylamino)hexanoic acid
EEP
EEP
表記:(2S,4R)-2-amino-4,5-dihydroxy-4-methylpentanoic acid
組成式:C6 H13 N O4
SMILES:C(C)(O)(CC(C(=O)O)N)CO
InChi:InChI=1S/C6H13NO4/c1-6(11,3-8)2-4(7)5(9)10/h4,8,11H,2-3,7H2,1H3,(H,9,10)/t4-,6+/m0/s1
定義日:2018-01-05
最終更新日:2023-11-03
公開日:2018-01-31
識別子（ID）:(2S,4R)-2-amino-4,5-dihydroxy-4-methylpentanoic acid (non-preferred name)
FOD
FOD
表記:(2S)-2-amino-4-[1-(trans-4-hydroxycyclohexyl)-1H-1,2,3-triazol-4-yl]butanoic acid
組成式:C12 H20 N4 O3
SMILES:c1(nnn(c1)C2CCC(CC2)O)CCC(N)C(O)=O
InChi:InChI=1S/C12H20N4O3/c13-11(12(18)19)6-1-8-7-16(15-14-8)9-2-4-10(17)5-3-9/h7,9-11,17H,1-6,13H2,(H,18,19)/t9-,10-,11-/m0/s1
定義日:2018-04-11
最終更新日:2023-11-03
公開日:2019-02-20
識別子（ID）:(2S)-2-amino-4-[1-(trans-4-hydroxycyclohexyl)-1H-1,2,3-triazol-4-yl]butanoic acid
FOE
FOE
表記:2-(2-AMINO-3-OXO-PROPYLSULFANYL)-N-(4-FLUORO-PHENYL)-N-ISOPROPYL-ACETAMIDE
組成式:C14 H19 F N2 O3 S
SMILES:O=C(O)C(N)CSCC(=O)N(c1ccc(F)cc1)C(C)C
InChi:InChI=1S/C14H19FN2O3S/c1-9(2)17(11-5-3-10(15)4-6-11)13(18)8-21-7-12(16)14(19)20/h3-6,9,12H,7-8,16H2,1-2H3,(H,19,20)/t12-/m0/s1
定義日:1999-07-08
最終更新日:2023-11-03
識別子（ID）:S-{2-[(4-fluorophenyl)(1-methylethyl)amino]-2-oxoethyl}-L-cysteine
FP9
FP9
表記:(4R)-4-fluoro-L-proline
組成式:C5 H8 F N O2
SMILES:O=C(O)C1NCC(F)C1
InChi:InChI=1S/C5H8FNO2/c6-3-1-4(5(8)9)7-2-3/h3-4,7H,1-2H2,(H,8,9)/t3-,4+/m1/s1
定義日:2009-08-18
最終更新日:2023-11-03
識別子（ID）:(4R)-4-fluoro-L-proline

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