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02A
02A
Name:(2S)-azetidine-2-carboxylic acid
Formula:C4 H7 N O2
SMILES:O=C(O)C1NCC1
InChi:InChI=1S/C4H7NO2/c6-4(7)3-1-2-5-3/h3,5H,1-2H2,(H,6,7)/t3-/m0/s1
Definition date:2011-02-25
Last modified:2023-11-03
Identifier:(2S)-azetidine-2-carboxylic acid
02G
02G
Name:(3S,4E)-3-hydroxy-7-sulfanylhept-4-enoic acid
Formula:C7 H12 O3 S
SMILES:O=C(O)CC(O)/C=C/CCS
InChi:InChI=1S/C7H12O3S/c8-6(5-7(9)10)3-1-2-4-11/h1,3,6,8,11H,2,4-5H2,(H,9,10)/b3-1+/t6-/m1/s1
Definition date:2011-05-04
Last modified:2023-11-03
Identifier:(3S,4E)-3-hydroxy-7-sulfanylhept-4-enoic acid
02J
02J
Name:5-methyl-1,2-oxazole-3-carboxylic acid
Formula:C5 H5 N O3
SMILES:O=C(O)c1noc(c1)C
InChi:InChI=1S/C5H5NO3/c1-3-2-4(5(7)8)6-9-3/h2H,1H3,(H,7,8)
Definition date:2011-06-17
Last modified:2023-11-03
Identifier:5-methyl-1,2-oxazole-3-carboxylic acid
02K
02K
Name:1-aminocyclohexanecarboxylic acid
Formula:C7 H13 N O2
SMILES:O=C(O)C1(N)CCCCC1
InChi:InChI=1S/C7H13NO2/c8-7(6(9)10)4-2-1-3-5-7/h1-5,8H2,(H,9,10)
Definition date:2011-06-15
Last modified:2023-11-03
Identifier:1-aminocyclohexanecarboxylic acid
02N
02N
Name:1-(4-methylphenyl)methanamine
Formula:C8 H11 N
SMILES:NCc1ccc(cc1)C
InChi:InChI=1S/C8H11N/c1-7-2-4-8(6-9)5-3-7/h2-5H,6,9H2,1H3
Definition date:2011-06-17
Last modified:2023-11-03
Identifier:1-(4-methylphenyl)methanamine
02V
02V
Name:(2S)-(3,4-dihydroxyphenyl)(methylamino)ethanoic acid
Formula:C9 H11 N O4
SMILES:O=C(O)C(c1cc(O)c(O)cc1)NC
InChi:InChI=1S/C9H11NO4/c1-10-8(9(13)14)5-2-3-6(11)7(12)4-5/h2-4,8,10-12H,1H3,(H,13,14)/t8-/m0/s1
Definition date:2011-06-10
Last modified:2023-11-03
Identifier:(2S)-(3,4-dihydroxyphenyl)(methylamino)ethanoic acid
02Y
02Y
Name:6-diazonio-5-oxo-L-norleucine
Formula:C6 H10 N3 O3
SMILES:O=C(CCC(N)C(=O)O)C[N+]#N
InChi:InChI=1S/C6H9N3O3/c7-5(6(11)12)2-1-4(10)3-9-8/h5H,1-3,7H2/p+1/t5-/m0/s1
Definition date:2011-07-18
Last modified:2023-11-03
Identifier:6-diazonio-5-oxo-L-norleucine
03E
03E
Name:1-aminocycloheptanecarboxylic acid
Formula:C8 H15 N O2
SMILES:O=C(O)C1(N)CCCCCC1
InChi:InChI=1S/C8H15NO2/c9-8(7(10)11)5-3-1-2-4-6-8/h1-6,9H2,(H,10,11)
Definition date:2011-08-14
Last modified:2023-11-03
Identifier:1-aminocycloheptanecarboxylic acid
03O
03O
Name:4-({[(6S)-2-amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoic acid
Formula:C15 H18 N6 O3
SMILES:O=C(O)c1ccc(cc1)NCC2N(C=3C(=O)NC(=NC=3NC2)N)C
InChi:InChI=1S/C15H18N6O3/c1-21-10(6-17-9-4-2-8(3-5-9)14(23)24)7-18-12-11(21)13(22)20-15(16)19-12/h2-5,10,17H,6-7H2,1H3,(H,23,24)(H4,16,18,19,20,22)/t10-/m0/s1
Synonyms:5-methyl tetrahydropteroic acid
Definition date:2011-11-04
Last modified:2023-11-03
Identifier:4-({[(6S)-2-amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoic acid
03Y
03Y
Name:2-methyl-L-cysteine
Formula:C4 H9 N O2 S
SMILES:O=C(O)C(N)(C)CS
InChi:InChI=1S/C4H9NO2S/c1-4(5,2-8)3(6)7/h8H,2,5H2,1H3,(H,6,7)/t4-/m0/s1
Definition date:2011-05-04
Last modified:2023-11-03
Identifier:2-methyl-L-cysteine
04D
04D
Name:(2R,3R,4S)-4-amino-2,6-dimethylheptane-1,3-diol
Formula:C9 H21 N O2
SMILES:OCC(C(O)C(N)CC(C)C)C
InChi:InChI=1S/C9H21NO2/c1-6(2)4-8(10)9(12)7(3)5-11/h6-9,11-12H,4-5,10H2,1-3H3/t7-,8+,9-/m1/s1
Definition date:2012-01-10
Last modified:2023-11-03
Identifier:(2R,3R,4S)-4-amino-2,6-dimethylheptane-1,3-diol
04Q
04Q
Name:N-benzylglycine
Formula:C9 H11 N O2
SMILES:O=C(O)CNCc1ccccc1
InChi:InChI=1S/C9H11NO2/c11-9(12)7-10-6-8-4-2-1-3-5-8/h1-5,10H,6-7H2,(H,11,12)
Definition date:2012-06-22
Last modified:2023-11-03
Identifier:N-benzylglycine
04X
04X
Name:(2S)-5-(morpholin-4-ylmethyl)-1,2,3,6-tetrahydropyridine-2-carboxylic acid
Formula:C11 H18 N2 O3
SMILES:O=C(O)C1NCC(=CC1)CN2CCOCC2
InChi:InChI=1S/C11H18N2O3/c14-11(15)10-2-1-9(7-12-10)8-13-3-5-16-6-4-13/h1,10,12H,2-8H2,(H,14,15)/t10-/m0/s1
Definition date:2014-06-19
Last modified:2023-11-03
Release date:2014-07-30
Identifier:(2S)-5-(morpholin-4-ylmethyl)-1,2,3,6-tetrahydropyridine-2-carboxylic acid
05N
05N
Name:(3R,4R)-4-hydroxy-3-methyl-L-proline
Formula:C6 H11 N O3
SMILES:O=C(O)C1NCC(O)C1C
InChi:InChI=1S/C6H11NO3/c1-3-4(8)2-7-5(3)6(9)10/h3-5,7-8H,2H2,1H3,(H,9,10)/t3-,4-,5-/m0/s1
Definition date:2012-10-25
Last modified:2023-11-03
Release date:2012-12-21
Identifier:(3R,4R)-4-hydroxy-3-methyl-L-proline
05O
05O
Name:(2S)-2-amino-3-[4-(trifluoromethoxy)phenyl]propanal
Formula:C10 H10 F3 N O3
SMILES:FC(F)(F)Oc1ccc(cc1)CC(N)C(=O)O
InChi:InChI=1S/C10H10F3NO3/c11-10(12,13)17-7-3-1-6(2-4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m0/s1
Definition date:2021-06-02
Last modified:2023-11-03
Release date:2021-09-29
Identifier:O-(trifluoromethyl)-L-tyrosine
05W
05W
Name:(2R,3S,4S)-4-azanyl-2,6-dimethyl-heptane-1,3-diol
Formula:C9 H21 N O2
SMILES:CC(C)C[CH](N)[CH](O)[CH](C)CO
InChi:InChI=1S/C9H21NO2/c1-6(2)4-8(10)9(12)7(3)5-11/h6-9,11-12H,4-5,10H2,1-3H3/t7-,8+,9+/m1/s1
Definition date:2012-12-10
Last modified:2023-11-03
Release date:2014-02-12
Identifier:(2R,3S,4S)-4-azanyl-2,6-dimethyl-heptane-1,3-diol
060
060
Name:S-methyl-D-cysteine
Formula:C4 H9 N O2 S
SMILES:O=C(O)C(N)CSC
InChi:InChI=1S/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1
Definition date:2013-01-25
Last modified:2023-11-03
Release date:2013-03-20
Identifier:S-methyl-D-cysteine
06E
06E
Name:6-[(11-bromanyl-6-oxidanylidene-8-thia-3,5,13-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl)methylamino]hexanoic acid
Formula:C16 H17 Br N4 O3 S
SMILES:OC(=O)CCCCCNCC1=Nc2c(sc3cc(Br)cnc23)C(=O)N1
InChi:InChI=1S/C16H17BrN4O3S/c17-9-6-10-13(19-7-9)14-15(25-10)16(24)21-11(20-14)8-18-5-3-1-2-4-12(22)23/h6-7,18H,1-5,8H2,(H,22,23)(H,20,21,24)
Definition date:2021-05-28
Last modified:2023-11-03
Release date:2021-08-04
Identifier:6-[(11-bromanyl-6-oxidanylidene-8-thia-3,5,13-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl)methylamino]hexanoic acid
08M
08M
Name:N~5~-(pyrazin-2-ylcarbonyl)-L-ornithine
Formula:C10 H14 N4 O3
SMILES:O=C(NCCCC(C(=O)O)N)c1nccnc1
InChi:InChI=1S/C10H14N4O3/c11-7(10(16)17)2-1-3-14-9(15)8-6-12-4-5-13-8/h4-7H,1-3,11H2,(H,14,15)(H,16,17)/t7-/m0/s1
Definition date:2011-10-13
Last modified:2023-11-03
Identifier:N~5~-(pyrazin-2-ylcarbonyl)-L-ornithine
0A0
0A0
Name:2-methyl-L-aspartic acid
Formula:C5 H9 N O4
SMILES:O=C(O)CC(N)(C(=O)O)C
InChi:InChI=1S/C5H9NO4/c1-5(6,4(9)10)2-3(7)8/h2,6H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1
Definition date:2007-11-09
Last modified:2023-11-03
Identifier:2-methyl-L-aspartic acid
0A1
0A1
Name:O-methyl-L-tyrosine
Formula:C10 H13 N O3
SMILES:O=C(O)C(N)Cc1ccc(OC)cc1
InChi:InChI=1S/C10H13NO3/c1-14-8-4-2-7(3-5-8)6-9(11)10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m0/s1
Definition date:2007-11-09
Last modified:2023-11-03
Identifier:O-methyl-L-tyrosine
0A9
0A9
Name:methyl L-phenylalaninate
Formula:C10 H13 N O2
SMILES:O=C(OC)C(N)Cc1ccccc1
InChi:InChI=1S/C10H13NO2/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3/t9-/m0/s1
Definition date:2007-11-09
Last modified:2023-11-03
Identifier:methyl L-phenylalaninate
0AF
0AF
Name:7-hydroxy-L-tryptophan
Formula:C11 H12 N2 O3
SMILES:O=C(O)C(N)Cc2c1cccc(O)c1nc2
InChi:InChI=1S/C11H12N2O3/c12-8(11(15)16)4-6-5-13-10-7(6)2-1-3-9(10)14/h1-3,5,8,13-14H,4,12H2,(H,15,16)/t8-/m0/s1
Definition date:2007-11-11
Last modified:2023-11-03
Identifier:7-hydroxy-L-tryptophan
0AK
0AK
Name:(2S)-2-amino-4-(2-chloroethoxy)-4-oxobutanoic acid
Formula:C6 H10 Cl N O4
SMILES:O=C(OCCCl)CC(N)C(=O)O
InChi:InChI=1S/C6H10ClNO4/c7-1-2-12-5(9)3-4(8)6(10)11/h4H,1-3,8H2,(H,10,11)/t4-/m0/s1
Definition date:2007-11-11
Last modified:2023-11-03
Identifier:(2S)-2-amino-4-(2-chloroethoxy)-4-oxobutanoic acid (non-preferred name)
0AR
0AR
Name:N-[N-[(4S)-4-azanyl-5-hydroxy-5-oxo-pentyl]carbamimidoyl]ethanamide
Formula:C8 H16 N4 O3
SMILES:O=C(O)C(N)CCCNC(=[N@H])NC(=O)C
InChi:InChI=1S/C8H16N4O3/c1-5(13)12-8(10)11-4-2-3-6(9)7(14)15/h6H,2-4,9H2,1H3,(H,14,15)(H3,10,11,12,13)/t6-/m0/s1
Definition date:2009-07-10
Last modified:2023-11-03
Identifier:N~5~-(N-acetylcarbamimidoyl)-L-ornithine

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数据于2024-09-11公开中

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