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5MW
5MW
Name:(2~{S})-5-[4-(aminomethyl)-1,2,3-triazol-1-yl]-2-azanyl-pentanoic acid
Formula:C8 H15 N5 O2
SMILES:NCc1cn(CCC[CH](N)C(O)=O)nn1
InChi:InChI=1S/C8H15N5O2/c9-4-6-5-13(12-11-6)3-1-2-7(10)8(14)15/h5,7H,1-4,9-10H2,(H,14,15)/t7-/m0/s1
Definition date:2015-10-23
Last modified:2023-11-03
Release date:2016-05-18
Identifier:(2~{S})-5-[4-(aminomethyl)-1,2,3-triazol-1-yl]-2-azanyl-pentanoic acid
5OH
5OH
Name:(2S)-amino[(4R,6S)-2-amino-6-hydroxy-3,4,5,6-tetrahydropyrimidin-4-yl]ethanoic acid
Formula:C6 H12 N4 O3
SMILES:N[CH]([CH]1C[CH](O)N=C(N)N1)C(O)=O
InChi:InChI=1S/C6H12N4O3/c7-4(5(12)13)2-1-3(11)10-6(8)9-2/h2-4,11H,1,7H2,(H,12,13)(H3,8,9,10)/t2-,3+,4+/m1/s1
Definition date:2010-02-05
Last modified:2023-11-03
Identifier:(2S)-2-azanyl-2-[(4S,6R)-2-azanyl-4-hydroxy-1,4,5,6-tetrahydropyrimidin-6-yl]ethanoic acid
5OL
5OL
Name:N~6~-(1,1-dihydroxyethyl)-L-lysine
Formula:C8 H18 N2 O4
SMILES:C(CCCCNC(C)(O)O)(C(=O)O)N
InChi:InChI=1S/C8H18N2O4/c1-8(13,14)10-5-3-2-4-6(9)7(11)12/h6,10,13-14H,2-5,9H2,1H3,(H,11,12)/t6-/m0/s1
Definition date:2015-10-29
Last modified:2023-11-03
Release date:2016-07-27
Identifier:N~6~-(1,1-dihydroxyethyl)-L-lysine
5OM
5OM
Name:(2S)-2-amino-8,8-dihydroxy-8-[(2S)-oxiran-2-yl]octanoic acid
Formula:C10 H19 N O5
SMILES:OC(CCCCCC(N)C(=O)O)(O)C1OC1
InChi:InChI=1S/C10H19NO5/c11-7(9(12)13)4-2-1-3-5-10(14,15)8-6-16-8/h7-8,14-15H,1-6,11H2,(H,12,13)/t7-,8-/m0/s1
Definition date:2015-10-29
Last modified:2023-11-03
Release date:2016-07-27
Identifier:(2S)-2-amino-8,8-dihydroxy-8-[(2S)-oxiran-2-yl]octanoic acid
5OW
5OW
Name:(2~{S})-2-azanyl-6-[[(~{Z})-~{C}-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-~{N}-[(2~{R})-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]carbonimidoyl]amino]hexanoic acid
Formula:C17 H27 N4 O9 P S
SMILES:Cc1ncc(CO[P](O)(O)=O)c(c1O)C(NCCCC[CH](N)C(O)=O)=N[CH](CS)C(O)=O
InChi:InChI=1S/C17H27N4O9PS/c1-9-14(22)13(10(6-20-9)7-30-31(27,28)29)15(21-12(8-32)17(25)26)19-5-3-2-4-11(18)16(23)24/h6,11-12,22,32H,2-5,7-8,18H2,1H3,(H,19,21)(H,23,24)(H,25,26)(H2,27,28,29)/t11-,12-/m0/s1
Definition date:2015-10-30
Last modified:2023-11-03
Release date:2016-11-09
Identifier:(2~{S})-2-azanyl-6-[[(~{Z})-~{C}-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-~{N}-[(2~{R})-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]carbonimidoyl]amino]hexanoic acid
5PG
5PG
Name:(2S)-(4-hydroxyphenyl)(methylamino)ethanoic acid
Formula:C9 H11 N O3
SMILES:O=C(O)C(NC)c1ccc(O)cc1
InChi:InChI=1S/C9H11NO3/c1-10-8(9(12)13)6-2-4-7(11)5-3-6/h2-5,8,10-11H,1H3,(H,12,13)/t8-/m0/s1
Synonyms:N-METHYL-4-HYDROXY-PHENYLGLYCINE
Definition date:2010-07-29
Last modified:2023-11-03
Identifier:(2S)-(4-hydroxyphenyl)(methylamino)ethanoic acid
5PV
5PV
Name:5-PHENYLVALERIC ACID
Formula:C11 H14 O2
SMILES:O=C(O)CCCCc1ccccc1
InChi:InChI=1S/C11H14O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,13)
Definition date:1999-07-08
Last modified:2023-11-03
Identifier:5-phenylpentanoic acid
5R0
5R0
Name:4-~{tert}-butylbenzoic acid
Formula:C11 H14 O2
SMILES:CC(C)(C)c1ccc(cc1)C(O)=O
InChi:InChI=1S/C11H14O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H,12,13)
Definition date:2015-11-12
Last modified:2023-11-03
Release date:2015-12-16
Identifier:4-tert-butylbenzoic acid
5R5
5R5
Name:methyl L-serinate
Formula:C4 H9 N O3
SMILES:NC(C(=O)OC)CO
InChi:InChI=1S/C4H9NO3/c1-8-4(7)3(5)2-6/h3,6H,2,5H2,1H3/t3-/m0/s1
Synonyms:methyl (2~{S})-2-azanyl-3-oxidanyl-propanoate
Definition date:2015-11-13
Last modified:2023-11-03
Release date:2015-12-16
Identifier:methyl L-serinate
5SQ
5SQ
Name:2-[2-[(1S)-1-azanyl-2-(1H-imidazol-4-yl)ethyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
Formula:C17 H17 N5 O4
SMILES:N[CH](Cc1c[nH]cn1)C2=NC(=Cc3ccc(O)cc3)C(=O)N2CC(O)=O
InChi:InChI=1S/C17H17N5O4/c18-13(6-11-7-19-9-20-11)16-21-14(17(26)22(16)8-15(24)25)5-10-1-3-12(23)4-2-10/h1-5,7,9,13,23H,6,8,18H2,(H,19,20)(H,24,25)/b14-5-/t13-/m0/s1
Synonyms:GREEN CHROMOPHORE (HIS-TYR-GLY)
Definition date:2015-11-24
Last modified:2023-11-03
Release date:2016-08-03
Identifier:2-[2-[(1~{S})-1-azanyl-2-(1~{H}-imidazol-4-yl)ethyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
5T3
5T3
Name:N~6~-ethyl-N~6~-propan-2-yl-L-lysine
Formula:C11 H24 N2 O2
SMILES:NC(CCCCN(C(C)C)CC)C(=O)O
InChi:InChI=1S/C11H24N2O2/c1-4-13(9(2)3)8-6-5-7-10(12)11(14)15/h9-10H,4-8,12H2,1-3H3,(H,14,15)/t10-/m0/s1
Definition date:2019-12-19
Last modified:2023-11-03
Release date:2020-01-15
Identifier:N~6~-ethyl-N~6~-propan-2-yl-L-lysine
GOA
GOA
Name:GLYCOLIC ACID
Formula:C2 H4 O3
SMILES:O=C(O)CO
InChi:InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)
Synonyms:HYDROXYACETIC ACID
Definition date:1999-07-21
Last modified:2023-11-03
Identifier:hydroxyacetic acid
GPN
GPN
Name:2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE
Formula:C11 H16 N7 O4
SMILES:O=C(O)CN(C(=O)Cn1c2N=C(NC(=O)c2nc1)N)CC[NH3+]
InChi:InChI=1S/C11H15N7O4/c12-1-2-17(4-7(20)21)6(19)3-18-5-14-8-9(18)15-11(13)16-10(8)22/h5H,1-4,12H2,(H,20,21)(H3,13,15,16,22)/p+1
Definition date:1999-07-08
Last modified:2023-11-03
Identifier:2-{[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)acetyl](carboxymethyl)amino}ethanaminium
GRN
GRN
Name:2-phenyl-L-alanine
Formula:C9 H11 N O2
SMILES:O=C(O)C(N)(c1ccccc1)C
InChi:InChI=1S/C9H11NO2/c1-9(10,8(11)12)7-5-3-2-4-6-7/h2-6H,10H2,1H3,(H,11,12)/t9-/m1/s1
Definition date:2014-10-02
Last modified:2023-11-03
Release date:2014-10-29
Identifier:2-phenyl-L-alanine
GSE
GSE
Name:L-ALPHA-GLYCEROPHOSPHORYLSERINE
Formula:C6 H14 N O8 P
SMILES:O=C(O)C(N)COP(=O)(OCC(O)CO)O
InChi:InChI=1S/C6H14NO8P/c7-5(6(10)11)3-15-16(12,13)14-2-4(9)1-8/h4-5,8-9H,1-3,7H2,(H,10,11)(H,12,13)/t4-,5+/m1/s1
Definition date:1999-07-08
Last modified:2023-11-03
Identifier:O-[(R)-{[(2R)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]-L-serine
GVE
GVE
Name:METHYL 4-AMINOBUTANOATE
Formula:C5 H11 N O2
SMILES:O=C(OC)CCCN
InChi:InChI=1S/C5H11NO2/c1-8-5(7)3-2-4-6/h2-4,6H2,1H3
Definition date:2004-10-20
Last modified:2023-11-03
Identifier:methyl 4-aminobutanoate
GYC
GYC
Name:[(4Z)-2-[(1R)-1-AMINO-2-MERCAPTOETHYL]-4-(4-HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID
Formula:C14 H15 N3 O4 S
SMILES:O=C1C(N=C(N1CC(=O)O)C(N)CS)=Cc2ccc(O)cc2
InChi:InChI=1S/C14H15N3O4S/c15-10(7-22)13-16-11(14(21)17(13)6-12(19)20)5-8-1-3-9(18)4-2-8/h1-5,10,18,22H,6-7,15H2,(H,19,20)/b11-5-/t10-/m0/s1
Synonyms:CHROMOPHORE (CYS-TYR-GLY)
Definition date:2006-05-30
Last modified:2023-11-03
Identifier:[(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid
GYS
GYS
Name:[(4Z)-2-(1-AMINO-2-HYDROXYETHYL)-4-(4-HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID
Formula:C14 H15 N3 O5
SMILES:O=C1C(N=C(N1CC(=O)O)C(N)CO)=Cc2ccc(O)cc2
InChi:InChI=1S/C14H15N3O5/c15-10(7-18)13-16-11(14(22)17(13)6-12(20)21)5-8-1-3-9(19)4-2-8/h1-5,10,18-19H,6-7,15H2,(H,20,21)/b11-5-/t10-/m0/s1
Synonyms:CHROMOPHORE (SER-TYR-GLY)
Definition date:2006-05-30
Last modified:2023-11-03
Identifier:[(4Z)-2-[(1R)-1-amino-2-hydroxyethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid
GZB
GZB
Name:2-benzamidoethanoic acid
Formula:C9 H9 N O3
SMILES:OC(=O)CNC(=O)c1ccccc1
InChi:InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)
Definition date:2017-07-22
Last modified:2023-11-03
Release date:2017-11-29
Identifier:2-benzamidoethanoic acid
GZJ
GZJ
Name:(2S)-2-(acetylamino)butanoic acid
Formula:C6 H11 N O3
SMILES:CC(NC(C(=O)O)CC)=O
InChi:InChI=1S/C6H11NO3/c1-3-5(6(9)10)7-4(2)8/h5H,3H2,1-2H3,(H,7,8)(H,9,10)/t5-/m0/s1
Definition date:2018-06-06
Last modified:2023-11-03
Release date:2019-04-17
Identifier:(2S)-2-(acetylamino)butanoic acid
GZS
GZS
Name:4-[(4-phenoxyphenyl)sulfonylamino]butanoic acid
Formula:C16 H17 N O5 S
SMILES:OC(=O)CCCN[S](=O)(=O)c1ccc(Oc2ccccc2)cc1
InChi:InChI=1S/C16H17NO5S/c18-16(19)7-4-12-17-23(20,21)15-10-8-14(9-11-15)22-13-5-2-1-3-6-13/h1-3,5-6,8-11,17H,4,7,12H2,(H,18,19)
Definition date:2022-05-18
Last modified:2023-11-03
Release date:2022-06-29
Identifier:4-[(4-phenoxyphenyl)sulfonylamino]butanoic acid
H00
H00
Name:4-sulfanylbutanoic acid
Formula:C4 H8 O2 S
SMILES:C(C(=O)O)CCS
InChi:InChI=1S/C4H8O2S/c5-4(6)2-1-3-7/h7H,1-3H2,(H,5,6)
Definition date:2017-08-15
Last modified:2023-11-03
Release date:2018-02-21
Identifier:4-sulfanylbutanoic acid
H14
H14
Name:(2S,3R)-BETA-HYDROXY-PHENYLALANINE
Formula:C9 H11 N O3
SMILES:O=C(O)C(N)C(O)c1ccccc1
InChi:InChI=1S/C9H11NO3/c10-7(9(12)13)8(11)6-4-2-1-3-5-6/h1-5,7-8,11H,10H2,(H,12,13)/t7-,8+/m0/s1
Synonyms:BETA-HYDROXY-PHENYLALANINE
Definition date:2008-10-17
Last modified:2023-11-03
Release date:2012-12-21
Identifier:(betaR)-beta-hydroxy-L-phenylalanine
4AF
4AF
Name:4-ACETYL-L-PHENYLALANINE
Formula:C11 H13 N O3
SMILES:O=C(O)C(N)Cc1ccc(cc1)C(=O)C
InChi:InChI=1S/C11H13NO3/c1-7(13)9-4-2-8(3-5-9)6-10(12)11(14)15/h2-5,10H,6,12H2,1H3,(H,14,15)/t10-/m0/s1
Synonyms:P-ACETYLPHENYLALANINE
Definition date:2005-05-04
Last modified:2023-11-03
Identifier:4-acetyl-L-phenylalanine
4AK
4AK
Name:N~6~-sulfo-L-lysine
Formula:C6 H14 N2 O5 S
SMILES:O=S(=O)(O)NCCCCC(C(=O)O)N
InChi:InChI=1S/C6H14N2O5S/c7-5(6(9)10)3-1-2-4-8-14(11,12)13/h5,8H,1-4,7H2,(H,9,10)(H,11,12,13)/t5-/m0/s1
Definition date:2015-02-20
Last modified:2023-11-03
Release date:2015-07-15
Identifier:N~6~-sulfo-L-lysine

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数据于2024-09-11公开中

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