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HD0
HD0
Name:(2S)-2-[(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]-3-(1H-imidazol-5-yl)propanoic acid
Formula:C10 H12 N4 O4
SMILES:O=C(O)C(N1C(=O)CC(C1=O)N)Cc2ncnc2
InChi:InChI=1S/C10H12N4O4/c11-6-2-8(15)14(9(6)16)7(10(17)18)1-5-3-12-4-13-5/h3-4,6-7H,1-2,11H2,(H,12,13)(H,17,18)/t6-,7-/m0/s1
Definition date:2010-11-01
Last modified:2023-11-03
Release date:2022-06-29
Identifier:(2S)-2-[(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]-3-(1H-imidazol-5-yl)propanoic acid
HG7
HG7
Name:(2S)-2-azanyl-N-[3-(dimethylamino)propyl]-2-(3-hydroxyphenyl)ethanamide
Formula:C13 H21 N3 O2
SMILES:CN(C)CCCNC(=O)[CH](N)c1cccc(O)c1
InChi:InChI=1S/C13H21N3O2/c1-16(2)8-4-7-15-13(18)12(14)10-5-3-6-11(17)9-10/h3,5-6,9,12,17H,4,7-8,14H2,1-2H3,(H,15,18)/t12-/m0/s1
Definition date:2012-03-05
Last modified:2023-11-03
Identifier:(2S)-2-azanyl-N-[3-(dimethylamino)propyl]-2-(3-hydroxyphenyl)ethanamide
HGL
HGL
Name:(2S)-2-amino-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)butanoic acid
Formula:C9 H12 N6 O3
SMILES:O=C(O)C(N)CCn1c2N=C(NC(=O)c2nc1)N
InChi:InChI=1S/C9H12N6O3/c10-4(8(17)18)1-2-15-3-12-5-6(15)13-9(11)14-7(5)16/h3-4H,1-2,10H2,(H,17,18)(H3,11,13,14,16)/t4-/m0/s1
Definition date:2008-02-12
Last modified:2023-11-03
Identifier:(2S)-2-amino-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)butanoic acid
HIP
HIP
Name:ND1-PHOSPHONOHISTIDINE
Formula: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
Definition date:1999-07-08
Last modified:2023-11-03
Identifier:3-(1-phosphono-1H-imidazol-3-ium-5-yl)-L-alanine
HIQ
HIQ
Name:1-[1,2-DIHYDROXY-1-(HYDROXYMETHYL)ETHYL]-L-HISTIDINE
Formula: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
Definition date:2006-05-27
Last modified:2023-11-03
Identifier:1-[1,2-dihydroxy-1-(hydroxymethyl)ethyl]-L-histidine
HJY
HJY
Name:4-iodo-N-methyl-D-phenylalanine
Formula:C10 H12 I N O2
SMILES:CNC(Cc1ccc(I)cc1)C(O)=O
InChi:InChI=1S/C10H12INO2/c1-12-9(10(13)14)6-7-2-4-8(11)5-3-7/h2-5,9,12H,6H2,1H3,(H,13,14)/t9-/m1/s1
Definition date:2018-07-09
Last modified:2023-11-03
Release date:2018-10-17
Identifier:4-iodo-N-methyl-D-phenylalanine
2GX
2GX
Name:beta-phenyl-L-phenylalanine
Formula:C15 H15 N O2
SMILES:O=C(O)C(N)C(c1ccccc1)c2ccccc2
InChi:InChI=1S/C15H15NO2/c16-14(15(17)18)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H,16H2,(H,17,18)/t14-/m0/s1
Definition date:2013-02-15
Last modified:2023-11-03
Release date:2016-10-26
Identifier:beta-phenyl-L-phenylalanine
2L6
2L6
Name:(3S,6R,8aS)-5-oxo-1,2,3,8a-tetrahydrospiro[indolizine-6,2'-pyrrolidine]-3-carboxylic acid
Formula:C12 H16 N2 O3
SMILES:O=C(O)C3N2C(=O)C1(NCCC1)C=CC2CC3
InChi:InChI=1S/C12H16N2O3/c15-10(16)9-3-2-8-4-6-12(5-1-7-13-12)11(17)14(8)9/h4,6,8-9,13H,1-3,5,7H2,(H,15,16)/t8-,9-,12+/m0/s1
Definition date:2013-11-25
Last modified:2023-11-03
Release date:2014-10-15
Identifier:(3S,6R,8aS)-5-oxo-1,2,3,8a-tetrahydrospiro[indolizine-6,2'-pyrrolidine]-3-carboxylic acid
2LT
2LT
Name:3,5-dichloro-L-tyrosine
Formula:C9 H9 Cl2 N O3
SMILES:Clc1cc(cc(Cl)c1O)CC(C(=O)O)N
InChi:InChI=1S/C9H9Cl2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1
Definition date:2013-12-18
Last modified:2023-11-03
Release date:2014-09-24
Identifier:3,5-dichloro-L-tyrosine
2MR
2MR
Name:N3, N4-DIMETHYLARGININE
Formula:C8 H18 N4 O2
SMILES:O=C(O)C(N)CCCNC(=N/C)NC
InChi:InChI=1S/C8H18N4O2/c1-10-8(11-2)12-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H,13,14)(H2,10,11,12)/t6-/m0/s1
Definition date:2000-11-03
Last modified:2023-11-03
Identifier:N~5~-(N,N'-dimethylcarbamimidoyl)-L-ornithine
2OR
2OR
Name:amino{[(2R,3R,4S)-4-amino-2,3,5-trihydroxy-5-oxopentyl]amino}methaniminium
Formula:C6 H15 N4 O4
SMILES:O=C(O)C(N)C(O)C(O)CNC(=[NH2+])N
InChi:InChI=1S/C6H14N4O4/c7-3(5(13)14)4(12)2(11)1-10-6(8)9/h2-4,11-12H,1,7H2,(H,13,14)(H4,8,9,10)/p+1/t2-,3+,4+/m1/s1
Definition date:2013-08-28
Last modified:2023-11-03
Release date:2014-06-25
Identifier:amino{[(2R,3R,4S)-4-amino-2,3,5-trihydroxy-5-oxopentyl]amino}methaniminium
2QY
2QY
Name:(2Z)-3-(4-hydroxyphenyl)-2-(methylamino)prop-2-enoic acid
Formula:C10 H11 N O3
SMILES:O=C(O)/C(=C/c1ccc(O)cc1)NC
InChi:InChI=1S/C10H11NO3/c1-11-9(10(13)14)6-7-2-4-8(12)5-3-7/h2-6,11-12H,1H3,(H,13,14)/b9-6-
Definition date:2014-01-09
Last modified:2023-11-03
Release date:2014-04-02
Identifier:(2Z)-3-(4-hydroxyphenyl)-2-(methylamino)prop-2-enoic acid
2R3
2R3
Name:(betaR)-beta-hydroxy-O-methyl-L-tyrosine
Formula:C10 H13 N O4
SMILES:O=C(O)C(N)C(O)c1ccc(OC)cc1
InChi:InChI=1S/C10H13NO4/c1-15-7-4-2-6(3-5-7)9(12)8(11)10(13)14/h2-5,8-9,12H,11H2,1H3,(H,13,14)/t8-,9+/m0/s1
Definition date:2014-01-10
Last modified:2023-11-03
Release date:2014-04-02
Identifier:(betaR)-beta-hydroxy-O-methyl-L-tyrosine
HM7
HM7
Name:3-methylthioethane-pyrazinedione
Formula:C8 H10 N2 O3 S2
SMILES:O=C1N=C(O)C(=NC1=C(/S)O)CCSC
InChi:InChI=1S/C8H10N2O3S2/c1-15-3-2-4-6(11)10-7(12)5(9-4)8(13)14/h13-14H,2-3H2,1H3,(H,10,11,12)/b8-5-
Definition date:2011-04-18
Last modified:2023-11-03
Identifier:(3Z)-6-hydroxy-3-[hydroxy(sulfanyl)methylidene]-5-[2-(methylsulfanyl)ethyl]pyrazin-2(3H)-one
HM8
HM8
Name:2-[(1S,2R)-1-amino-2-(sulfooxy)propyl]-5-hydroxy-1,3-oxazole-4-carbothioic O-acid
Formula:C7 H10 N2 O7 S2
SMILES:S=C(O)c1nc(oc1O)C(N)C(OS(=O)(=O)O)C
InChi:InChI=1S/C7H10N2O7S2/c1-2(16-18(12,13)14)3(8)5-9-4(7(11)17)6(10)15-5/h2-3,10H,8H2,1H3,(H,11,17)(H,12,13,14)/t2-,3+/m1/s1
Definition date:2011-04-18
Last modified:2023-11-03
Identifier:2-[(1S,2R)-1-amino-2-(sulfooxy)propyl]-5-hydroxy-1,3-oxazole-4-carbothioic O-acid
HM9
HM9
Name:6-(3-CARBAMIMIDAMIDOPROPYL)-3,5-DIHYDROXYPYRAZINE-2-CARBOTHIOIC S-ACID
Formula:C9 H13 N5 O3 S
SMILES:O=C(S)c1nc(c(O)nc1O)CCCNC(=[N@H])N
InChi:InChI=1S/C9H13N5O3S/c10-9(11)12-3-1-2-4-6(15)14-7(16)5(13-4)8(17)18/h1-3H2,(H,17,18)(H4,10,11,12)(H2,14,15,16)
Definition date:2011-04-18
Last modified:2023-11-03
Identifier:6-(3-carbamimidamidopropyl)-3,5-dihydroxypyrazine-2-carbothioic S-acid
HP9
HP9
Name:(2S)-2-azanyl-3-(7-fluoranyl-9-oxidanylidene-xanthen-2-yl)propanoic acid
Formula:C16 H12 F N O4
SMILES:N[CH](Cc1ccc2Oc3ccc(F)cc3C(=O)c2c1)C(O)=O
InChi:InChI=1S/C16H12FNO4/c17-9-2-4-14-11(7-9)15(19)10-5-8(1-3-13(10)22-14)6-12(18)16(20)21/h1-5,7,12H,6,18H2,(H,20,21)/t12-/m0/s1
Definition date:2021-01-26
Last modified:2023-11-03
Release date:2022-07-27
Identifier:(2~{S})-2-azanyl-3-(7-fluoranyl-9-oxidanylidene-xanthen-2-yl)propanoic acid
HQA
HQA
Name:3-(8-hydroxyquinolin-3-yl)-L-alanine
Formula:C12 H12 N2 O3
SMILES:O=C(O)C(N)Cc1cc2cccc(O)c2nc1
InChi:InChI=1S/C12H12N2O3/c13-9(12(16)17)5-7-4-8-2-1-3-10(15)11(8)14-6-7/h1-4,6,9,15H,5,13H2,(H,16,17)/t9-/m0/s1
Definition date:2008-12-10
Last modified:2023-11-03
Identifier:3-(8-hydroxyquinolin-3-yl)-L-alanine
HS8
HS8
Name:3-(1-sulfo-1H-imidazol-3-ium-4-yl)-L-alanine
Formula:C6 H10 N3 O5 S
SMILES:O=S(=O)(O)n1cc([nH+]c1)CC(C(=O)O)N
InChi:InChI=1S/C6H9N3O5S/c7-5(6(10)11)1-4-2-9(3-8-4)15(12,13)14/h2-3,5H,1,7H2,(H,10,11)(H,12,13,14)/p+1/t5-/m0/s1
Definition date:2008-11-13
Last modified:2023-11-03
Identifier:3-(1-sulfo-1H-imidazol-3-ium-4-yl)-L-alanine
HT0
HT0
Name:(4R,5R)-5-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidine-4-carboxylic acid
Formula:C10 H9 N O5
SMILES:O=C(O)C1NC(=O)OC1c1ccc(O)cc1
InChi:InChI=1S/C10H9NO5/c12-6-3-1-5(2-4-6)8-7(9(13)14)11-10(15)16-8/h1-4,7-8,12H,(H,11,15)(H,13,14)/t7-,8-/m1/s1
Definition date:2021-03-10
Last modified:2023-11-03
Release date:2022-12-07
Identifier:(4R,5R)-5-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidine-4-carboxylic acid
HT7
HT7
Name:(3S)-3-AMINO-4-(1H-INDOL-3-YL)BUTANOIC ACID
Formula:C12 H14 N2 O2
SMILES:O=C(O)CC(N)Cc2c1ccccc1nc2
InChi:InChI=1S/C12H14N2O2/c13-9(6-12(15)16)5-8-7-14-11-4-2-1-3-10(8)11/h1-4,7,9,14H,5-6,13H2,(H,15,16)/t9-/m0/s1
Synonyms:BETA-HOMOTRYPTOPHAN
Definition date:2011-05-18
Last modified:2023-11-03
Identifier:(3S)-3-amino-4-(1H-indol-3-yl)butanoic acid
HTR
HTR
Name:BETA-HYDROXYTRYPTOPHANE
Formula:C11 H12 N2 O3
SMILES:O=C(O)C(N)C(O)c2c1ccccc1nc2
InChi:InChI=1S/C11H12N2O3/c12-9(11(15)16)10(14)7-5-13-8-4-2-1-3-6(7)8/h1-5,9-10,13-14H,12H2,(H,15,16)/t9-,10-/m0/s1
Definition date:1999-07-08
Last modified:2023-11-03
Identifier:(betaS)-beta-hydroxy-L-tryptophan
HTY
HTY
Name:(betaR)-beta-hydroxy-D-tyrosine
Formula:C9 H11 N O4
SMILES:O=C(O)C(N)C(O)c1ccc(O)cc1
InChi:InChI=1S/C9H11NO4/c10-7(9(13)14)8(12)5-1-3-6(11)4-2-5/h1-4,7-8,11-12H,10H2,(H,13,14)/t7-,8-/m1/s1
Definition date:2002-09-02
Last modified:2023-11-03
Identifier:(betaR)-beta-hydroxy-D-tyrosine
FLT
FLT
Name:FLUOROMALONYL TYROSINE
Formula:C12 H12 F N O7
SMILES:FC(Oc1ccc(cc1)CC(C(=O)O)N)(C(=O)O)C(=O)O
InChi:InChI=1S/C12H12FNO7/c13-12(10(17)18,11(19)20)21-7-3-1-6(2-4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)(H,17,18)(H,19,20)/t8-/m0/s1
Definition date:1999-08-25
Last modified:2023-11-03
Identifier:{4-[(2S)-2-amino-2-carboxyethyl]phenoxy}(fluoro)propanedioic acid
FOD
FOD
Name:(2S)-2-amino-4-[1-(trans-4-hydroxycyclohexyl)-1H-1,2,3-triazol-4-yl]butanoic acid
Formula: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
Definition date:2018-04-11
Last modified:2023-11-03
Release date:2019-02-20
Identifier:(2S)-2-amino-4-[1-(trans-4-hydroxycyclohexyl)-1H-1,2,3-triazol-4-yl]butanoic acid

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数据于2024-08-07公开中

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