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TA4
TA4
Name:(S)-2-[4-(AMINOMETHYL)-1H-1,2,3-TRIAZOL-1-YL]-4-METHYLPENTANOIC ACID
Formula:C9 H16 N4 O2
SMILES:O=C(O)C(n1nnc(c1)CN)CC(C)C
InChi:InChI=1S/C9H16N4O2/c1-6(2)3-8(9(14)15)13-5-7(4-10)11-12-13/h5-6,8H,3-4,10H2,1-2H3,(H,14,15)/t8-/m0/s1
Definition date:2004-08-13
Last modified:2023-11-03
Identifier:(2S)-2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]-4-methylpentanoic acid
AKK
AKK
Name:(1Z)-prop-1-en-1-amine
Formula:C3 H7 N
SMILES:C(=CN)C
InChi:InChI=1S/C3H7N/c1-2-3-4/h2-3H,4H2,1H3/b3-2-
Definition date:2011-03-25
Last modified:2023-11-03
Identifier:(1Z)-prop-1-en-1-amine
AKR
AKR
Name:ACRYLIC ACID
Formula:C3 H4 O2
SMILES:O=C(O)C=C
InChi:InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)
Definition date:2000-11-28
Last modified:2023-11-03
Identifier:prop-2-enoic acid
TBF
TBF
Name:TERT-BUTYL FORMATE
Formula:C5 H10 O2
SMILES:O=COC(C)(C)C
InChi:InChI=1S/C5H10O2/c1-5(2,3)7-4-6/h4H,1-3H3
Synonyms:TERTIARY BUTOXY CARBONYL
Definition date:2003-12-18
Last modified:2023-11-03
Identifier:tert-butyl formate
TBG
TBG
Name:3-methyl-L-valine
Formula:C6 H13 N O2
SMILES:O=C(O)C(N)C(C)(C)C
InChi:InChI=1S/C6H13NO2/c1-6(2,3)4(7)5(8)9/h4H,7H2,1-3H3,(H,8,9)/t4-/m1/s1
Definition date:1999-07-08
Last modified:2023-11-03
Identifier:3-methyl-L-valine
AKZ
AKZ
Name:(3S)-3-amino-4,4-dihydroxybutanoic acid
Formula:C4 H9 N O4
SMILES:O=C(O)CC(N)C(O)O
InChi:InChI=1S/C4H9NO4/c5-2(4(8)9)1-3(6)7/h2,4,8-9H,1,5H2,(H,6,7)/t2-/m0/s1
Definition date:2011-01-25
Last modified:2023-11-03
Identifier:(3S)-3-amino-4,4-dihydroxybutanoic acid
ALA
ALA
Name:ALANINE
Formula:C3 H7 N O2
SMILES:O=C(O)C(N)C
InChi:InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1
Definition date:1999-07-08
Last modified:2023-11-03
Identifier:L-alanine
ALC
ALC
Name:2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID
Formula:C9 H17 N O2
SMILES:O=C(O)C(N)CC1CCCCC1
InChi:InChI=1S/C9H17NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7-8H,1-6,10H2,(H,11,12)/t8-/m0/s1
Definition date:2000-06-30
Last modified:2023-11-03
Identifier:3-cyclohexyl-L-alanine
ALN
ALN
Name:NAPHTHALEN-2-YL-3-ALANINE
Formula:C13 H13 N O2
SMILES:O=C(O)C(N)Cc2cccc1ccccc12
InChi:InChI=1S/C13H13NO2/c14-12(13(15)16)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12H,8,14H2,(H,15,16)/t12-/m0/s1
Definition date:1999-07-08
Last modified:2023-11-03
Identifier:(2S)-2-amino-3-naphthalen-1-ylpropanoic acid (non-preferred name)
ALO
ALO
Name:ALLO-THREONINE
Formula:C4 H9 N O3
SMILES:O=C(O)C(N)C(O)C
InChi:InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3-/m0/s1
Definition date:1999-07-08
Last modified:2023-11-03
Identifier:L-allothreonine
ALQ
ALQ
Name:2-METHYL-PROPIONIC ACID
Formula:C4 H8 O2
SMILES:O=C(O)C(C)C
InChi:InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)
Definition date:2000-08-25
Last modified:2023-11-03
Identifier:2-methylpropanoic acid
ALS
ALS
Name:(3S)-3-(sulfooxy)-L-serine
Formula:C3 H7 N O7 S
SMILES:C(C(C(OS(O)(=O)=O)O)N)(O)=O
InChi:InChI=1S/C3H7NO7S/c4-1(2(5)6)3(7)11-12(8,9)10/h1,3,7H,4H2,(H,5,6)(H,8,9,10)/t1-,3+/m1/s1
Definition date:1999-07-08
Last modified:2023-11-03
Identifier:(3S)-3-(sulfooxy)-L-serine
ALT
ALT
Name:THIOALANINE
Formula:C3 H7 N O S
SMILES:S=C(O)C(N)C
InChi:InChI=1S/C3H7NOS/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1
Definition date:1999-07-08
Last modified:2023-11-03
Identifier:(2S)-2-aminopropanethioic O-acid
ALV
ALV
Name:(2S)-2-aminopropane-1,1-diol
Formula:C3 H9 N O2
SMILES:OC(O)C(N)C
InChi:InChI=1S/C3H9NO2/c1-2(4)3(5)6/h2-3,5-6H,4H2,1H3/t2-/m0/s1
Definition date:2010-10-07
Last modified:2023-11-03
Identifier:(2S)-2-aminopropane-1,1-diol
ALY
ALY
Name:N(6)-ACETYLLYSINE
Formula:C8 H16 N2 O3
SMILES:O=C(NCCCCC(N)C(=O)O)C
InChi:InChI=1S/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1
Definition date:2000-08-18
Last modified:2023-11-03
Identifier:N~6~-acetyl-L-lysine
TCQ
TCQ
Name:(1S,2R)-N-{(1E)-5-[(2S)-2-amino-2-carboxyethyl]-2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene}-2-phenylcyclopropanaminium
Formula:C18 H19 N2 O4
SMILES:O=C(O)C(N)CC=3C(=O)C=C(O)C(=[NH+]C2CC2c1ccccc1)C=3
InChi:InChI=1S/C18H18N2O4/c19-13(18(23)24)6-11-7-15(17(22)9-16(11)21)20-14-8-12(14)10-4-2-1-3-5-10/h1-5,7,9,12-14,22H,6,8,19H2,(H,23,24)/p+1/b20-15+/t12-,13+,14+/m1/s1
Definition date:2004-07-27
Last modified:2023-11-03
Identifier:(1S,2R)-N-{(1E)-5-[(2S)-2-amino-2-carboxyethyl]-2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene}-2-phenylcyclopropanaminium
TDD
TDD
Name:(2R)-2-amino-3,3-dimethyl-butanoic acid
Formula:C6 H13 N O2
SMILES:O=C(O)C(N)C(C)(C)C
InChi:InChI=1S/C6H13NO2/c1-6(2,3)4(7)5(8)9/h4H,7H2,1-3H3,(H,8,9)/t4-/m0/s1
Synonyms:D-tert-leucine
Definition date:2008-06-02
Last modified:2023-11-03
Identifier:3-methyl-D-valine
TDF
TDF
Name:4-(trifluoromethyl)-D-phenylalanine
Formula:C10 H10 F3 N O2
SMILES:FC(F)(F)c1ccc(cc1)CC(C(=O)O)N
InChi:InChI=1S/C10H10F3NO2/c11-10(12,13)7-3-1-6(2-4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m1/s1
Definition date:2011-09-15
Last modified:2023-11-03
Identifier:4-(trifluoromethyl)-D-phenylalanine
ANN
ANN
Name:4-METHOXYBENZOIC ACID
Formula:C8 H8 O3
SMILES:O=C(O)c1ccc(OC)cc1
InChi:InChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)
Synonyms:P-ANISIC ACID
Definition date:2003-03-20
Last modified:2023-11-03
Identifier:4-methoxybenzoic acid
TEE
TEE
Name:2-AMINO-ETHENETHIOL
Formula:C2 H5 N S
SMILES:S/C=CN
InChi:InChI=1S/C2H5NS/c3-1-2-4/h1-2,4H,3H2/b2-1-
Synonyms:2-THIOETHENAMINE
Definition date:2002-10-04
Last modified:2023-11-03
Identifier:(Z)-2-aminoethenethiol
TFW
TFW
Name:5,6,7-trifluoro-tryptophan
Formula:C11 H9 F3 N2 O2
SMILES:N[CH](Cc1c[nH]c2c(F)c(F)c(F)cc12)C(O)=O
InChi:InChI=1S/C11H9F3N2O2/c12-6-2-5-4(1-7(15)11(17)18)3-16-10(5)9(14)8(6)13/h2-3,7,16H,1,15H2,(H,17,18)/t7-/m0/s1
Synonyms:(2S)-2-azanyl-3-[5,6,7-tris(fluoranyl)-1H-indol-3-yl]propanoic acid
Definition date:2022-02-10
Last modified:2023-11-03
Release date:2022-11-23
Identifier:(2~{S})-2-azanyl-3-[5,6,7-tris(fluoranyl)-1~{H}-indol-3-yl]propanoic acid
TH5
TH5
Name:O-acetyl-L-threonine
Formula:C6 H11 N O4
SMILES:O=C(OC(C(N)C(=O)O)C)C
InChi:InChI=1S/C6H11NO4/c1-3(11-4(2)8)5(7)6(9)10/h3,5H,7H2,1-2H3,(H,9,10)/t3-,5+/m1/s1
Definition date:2008-08-01
Last modified:2023-11-03
Identifier:O-acetyl-L-threonine
TH6
TH6
Name:4-HYDROXY-L-THREONINE
Formula:C4 H9 N O4
SMILES:O=C(O)C(N)C(O)CO
InChi:InChI=1S/C4H9NO4/c5-3(4(8)9)2(7)1-6/h2-3,6-7H,1,5H2,(H,8,9)/t2-,3+/m1/s1
Definition date:2009-10-22
Last modified:2023-11-03
Identifier:4-hydroxy-L-threonine
8BB
8BB
Name:trans-4-{[(E)-1-amino-2-sulfanylethenyl]carbamoyl}cyclohexanecarboxylic acid
Formula:C10 H16 N2 O3 S
SMILES:O=C(O)C1CCC(C(=O)NC(=CS)N)CC1
InChi:InChI=1S/C10H16N2O3S/c11-8(5-16)12-9(13)6-1-3-7(4-2-6)10(14)15/h5-7,16H,1-4,11H2,(H,12,13)(H,14,15)/b8-5+/t6-,7-
Definition date:2012-01-04
Last modified:2023-11-03
Identifier:trans-4-{[(E)-1-amino-2-sulfanylethenyl]carbamoyl}cyclohexanecarboxylic acid
THC
THC
Name:N-METHYLCARBONYLTHREONINE
Formula:C6 H11 N O4
SMILES:O=C(O)C(NC(=O)C)C(O)C
InChi:InChI=1S/C6H11NO4/c1-3(8)5(6(10)11)7-4(2)9/h3,5,8H,1-2H3,(H,7,9)(H,10,11)/t3-,5+/m1/s1
Definition date:1999-07-08
Last modified:2023-11-03
Identifier:N-acetyl-L-threonine

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数据于2024-09-11公开中

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