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6CW
6CW
Name:6-CHLORO-L-TRYPTOPHAN
Formula:C11 H11 Cl N2 O2
SMILES:O=C(O)C(N)Cc2c1ccc(Cl)cc1nc2
InChi:InChI=1S/C11H11ClN2O2/c12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7/h1-2,4-5,9,14H,3,13H2,(H,15,16)/t9-/m0/s1
Definition date:2005-09-22
Last modified:2023-11-03
Identifier:6-chloro-L-tryptophan
6D6
6D6
Name:5'-{[(3S)-3-amino-3-carboxypropyl](3-aminopropyl)amino}-5'-deoxyadenosine
Formula:C17 H28 N8 O5
SMILES:C(CCN(CCC(C(O)=O)N)CC1C(O)C(C(O1)n2cnc3c2ncnc3N)O)N
InChi:InChI=1S/C17H28N8O5/c18-3-1-4-24(5-2-9(19)17(28)29)6-10-12(26)13(27)16(30-10)25-8-23-11-14(20)21-7-22-15(11)25/h7-10,12-13,16,26-27H,1-6,18-19H2,(H,28,29)(H2,20,21,22)/t9-,10+,12+,13+,16+/m0/s1
Definition date:2016-03-16
Last modified:2023-11-03
Release date:2017-03-15
Identifier:5'-{[(3S)-3-amino-3-carboxypropyl](3-aminopropyl)amino}-5'-deoxyadenosine
6DN
6DN
Name:(2~{S})-2-azanyl-6-(2-hydroxy-2-oxoethylamino)hexanoic acid
Formula:C8 H16 N2 O4
SMILES:N[CH](CCCCNCC(O)=O)C(O)=O
InChi:InChI=1S/C8H16N2O4/c9-6(8(13)14)3-1-2-4-10-5-7(11)12/h6,10H,1-5,9H2,(H,11,12)(H,13,14)/t6-/m0/s1
Definition date:2016-03-30
Last modified:2023-11-03
Release date:2017-10-11
Identifier:(2~{S})-2-azanyl-6-(2-hydroxy-2-oxoethylamino)hexanoic acid
6DU
6DU
Name:2-bromo-L-phenylalanine
Formula:C9 H10 Br N O2
SMILES:O=C(C(N)Cc1c(Br)cccc1)O
InChi:InChI=1S/C9H10BrNO2/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
Definition date:2016-03-17
Last modified:2023-11-03
Release date:2016-10-26
Identifier:2-bromo-L-phenylalanine
CCY
CCY
Name:2-(1-AMINO-2-MERCAPTO-ETHYL)-5-(4-HYDROXY-BENZYL)-3-(ETHANOYL)-3,5-DIHYDRO-IMIDAZOL-4-ONE
Formula:C14 H19 N3 O4 S
SMILES:O=C1N(CC(=O)O)C(NC1Cc2ccc(O)cc2)C(N)CS
InChi:InChI=1S/C14H19N3O4S/c15-10(7-22)13-16-11(14(21)17(13)6-12(19)20)5-8-1-3-9(18)4-2-8/h1-4,10-11,13,16,18,22H,5-7,15H2,(H,19,20)/t10-,11-,13-/m0/s1
Definition date:1999-07-08
Last modified:2023-11-03
Identifier:[(2S,4S)-2-[(1R)-1-amino-2-sulfanylethyl]-4-(4-hydroxybenzyl)-5-oxoimidazolidin-1-yl]acetic acid
CDE
CDE
Name:1,2-DIMETHYL-PROPYLAMINE
Formula:C5 H13 N
SMILES:NC(C)C(C)C
InChi:InChI=1S/C5H13N/c1-4(2)5(3)6/h4-5H,6H2,1-3H3/t5-/m1/s1
Definition date:1999-07-08
Last modified:2023-11-03
Identifier:(2R)-3-methylbutan-2-amine
CE7
CE7
Name:(3S)-3-amino-4,4,4-trihydroxybutanamide
Formula:C4 H10 N2 O4
SMILES:C(C(N)=O)C(N)C(O)(O)O
InChi:InChI=1S/C4H10N2O4/c5-2(1-3(6)7)4(8,9)10/h2,8-10H,1,5H2,(H2,6,7)/t2-/m0/s1
Definition date:2017-09-20
Last modified:2023-11-03
Release date:2018-02-07
Identifier:(3S)-3-amino-4,4,4-trihydroxybutanamide
CEV
CEV
Name:ethyl (4R)-4-amino-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate
Formula:C11 H20 N2 O3
SMILES:O=C1NCCC1CC(N)CCC(=O)OCC
InChi:InChI=1S/C11H20N2O3/c1-2-16-10(14)4-3-9(12)7-8-5-6-13-11(8)15/h8-9H,2-7,12H2,1H3,(H,13,15)/t8-,9+/m0/s1
Definition date:2012-04-05
Last modified:2023-11-03
Identifier:ethyl (4R)-4-amino-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate
CF0
CF0
Name:fluoromethane
Formula:C H3 F
SMILES:FC
InChi:InChI=1S/CH3F/c1-2/h1H3
Synonyms:Fluoro methyl group
Definition date:2009-01-06
Last modified:2023-11-03
Identifier:fluoromethane
CFY
CFY
Name:[(4Z)-2-{(2R)-2-[(1S)-1-amino-2-phenylethyl]-2-hydroxy-2,5-dihydro-1,3-thiazol-4-yl}-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid
Formula:C23 H22 N4 O5 S
SMILES:O=C(O)CN1C(=O)C(N=C1C2=NC(O)(SC2)C(N)Cc3ccccc3)=Cc4ccc(O)cc4
InChi:InChI=1S/C23H22N4O5S/c24-19(11-14-4-2-1-3-5-14)23(32)26-18(13-33-23)21-25-17(22(31)27(21)12-20(29)30)10-15-6-8-16(28)9-7-15/h1-10,19,28,32H,11-13,24H2,(H,29,30)/b17-10-/t19-,23+/m0/s1
Synonyms:CHROMOPHORE (PHE-CYS-TYR-GLY)
Definition date:2006-02-14
Last modified:2023-11-03
Identifier:[(4Z)-2-{(2R)-2-[(1S)-1-amino-2-phenylethyl]-2-hydroxy-2,5-dihydro-1,3-thiazol-4-yl}-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid
CG6
CG6
Name:beta-Methyl-Cysteine
Formula:C4 H9 N O2 S
SMILES:C[CH](S)[CH](N)C(O)=O
InChi:InChI=1S/C4H9NO2S/c1-2(8)3(5)4(6)7/h2-3,8H,5H2,1H3,(H,6,7)/t2-,3+/m1/s1
Definition date:2015-11-26
Last modified:2023-11-03
Release date:2016-07-06
Identifier:(2~{R},3~{R})-2-azanyl-3-sulfanyl-butanoic acid
CGA
CGA
Name:CARBOXYMETHYLATED GLUTAMIC ACID
Formula:C7 H11 N O6
SMILES:O=C(O)COC(=O)CCC(C(=O)O)N
InChi:InChI=1S/C7H11NO6/c8-4(7(12)13)1-2-6(11)14-3-5(9)10/h4H,1-3,8H2,(H,9,10)(H,12,13)
Definition date:1999-07-08
Last modified:2023-11-03
Identifier:2-amino-5-(carboxymethoxy)-5-oxopentanoic acid (non-preferred name)
CGL
CGL
Name:CYSTINE-GLUTATHIONE
Formula:C13 H22 N4 O8 S2
SMILES:O=C(NC(C(=O)NCC(=O)O)CSSCC(C(=O)O)N)CCC(C(=O)O)N
InChi:InChI=1S/C13H22N4O8S2/c14-6(12(22)23)1-2-9(18)17-8(11(21)16-3-10(19)20)5-27-26-4-7(15)13(24)25/h6-8H,1-5,14-15H2,(H,16,21)(H,17,18)(H,19,20)(H,22,23)(H,24,25)
Definition date:1999-07-08
Last modified:2023-11-03
Identifier:2-amino-5-({3-[(2-amino-2-carboxyethyl)disulfanyl]-1-[(carboxymethyl)amino]-1-oxopropan-2-yl}amino)-5-oxopentanoic acid (non-preferred name)
CGU
CGU
Name:GAMMA-CARBOXY-GLUTAMIC ACID
Formula:C6 H9 N O6
SMILES:O=C(O)C(C(=O)O)CC(N)C(=O)O
InChi:InChI=1S/C6H9NO6/c7-3(6(12)13)1-2(4(8)9)5(10)11/h2-3H,1,7H2,(H,8,9)(H,10,11)(H,12,13)/t3-/m0/s1
Definition date:1999-07-08
Last modified:2023-11-03
Identifier:(3S)-3-aminopropane-1,1,3-tricarboxylic acid
CH6
CH6
Name:{(4Z)-2-[(1S)-1-amino-3-(methylsulfanyl)propyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Formula:C16 H19 N3 O4 S
SMILES:O=C1C(N=C(N1CC(=O)O)C(N)CCSC)=Cc2ccc(O)cc2
InChi:InChI=1S/C16H19N3O4S/c1-24-7-6-12(17)15-18-13(16(23)19(15)9-14(21)22)8-10-2-4-11(20)5-3-10/h2-5,8,12,20H,6-7,9,17H2,1H3,(H,21,22)/b13-8-/t12-/m0/s1
Synonyms:CHROMOPHORE (MET-TYR-GLY)
Definition date:2004-08-30
Last modified:2023-11-03
Identifier:{(4Z)-2-[(1S)-1-amino-3-(methylsulfanyl)propyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
CH7
CH7
Name:[(4Z)-4-(4-HYDROXYBENZYLIDENE)-5-OXO-2-(3,4,5,6-TETRAHYDROPYRIDIN-2-YL)-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID
Formula:C17 H17 N3 O4
SMILES:O=C2C(N=C(C1=NCCCC1)N2CC(=O)O)=Cc3ccc(O)cc3
InChi:InChI=1S/C17H17N3O4/c21-12-6-4-11(5-7-12)9-14-17(24)20(10-15(22)23)16(19-14)13-3-1-2-8-18-13/h4-7,9,21H,1-3,8,10H2,(H,22,23)/b14-9-
Synonyms:CHROMOPHORE (LYS-TYR-GLY)
Definition date:2004-08-31
Last modified:2023-11-03
Identifier:[(4Z)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-2-(3,4,5,6-tetrahydropyridin-2-yl)-4,5-dihydro-1H-imidazol-1-yl]acetic acid
CHG
CHG
Name:CYCLOHEXYL-GLYCINE
Formula:C8 H15 N O2
SMILES:O=C(O)C(N)C1CCCCC1
InChi:InChI=1S/C8H15NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h6-7H,1-5,9H2,(H,10,11)/t7-/m0/s1
Definition date:1999-07-08
Last modified:2023-11-03
Identifier:(2S)-amino(cyclohexyl)ethanoic acid
CHP
CHP
Name:3-CHLORO-4-HYDROXYPHENYLGLYCINE
Formula:C8 H8 Cl N O3
SMILES:Clc1cc(ccc1O)C(C(=O)O)N
InChi:InChI=1S/C8H8ClNO3/c9-5-3-4(1-2-6(5)11)7(10)8(12)13/h1-3,7,11H,10H2,(H,12,13)/t7-/m0/s1
Definition date:1999-07-08
Last modified:2023-11-03
Identifier:(2S)-amino(3-chloro-4-hydroxyphenyl)ethanoic acid
CHS
CHS
Name:4-AMINO-5-CYCLOHEXYL-3-HYDROXY-PENTANOIC ACID
Formula:C11 H21 N O3
SMILES:O=C(O)CC(O)C(N)CC1CCCCC1
InChi:InChI=1S/C11H21NO3/c12-9(10(13)7-11(14)15)6-8-4-2-1-3-5-8/h8-10,13H,1-7,12H2,(H,14,15)/t9-,10-/m0/s1
Definition date:1999-07-08
Last modified:2023-11-03
Identifier:4-amino-5-cyclohexyl-2,4,5-trideoxy-L-threo-pentonic acid
CIR
CIR
Name:CITRULLINE
Formula:C6 H13 N3 O3
SMILES:O=C(O)C(N)CCCNC(=O)N
InChi:InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1
Definition date:1999-07-08
Last modified:2023-11-03
Identifier:N~5~-carbamoyl-L-ornithine
CJO
CJO
Name:[(2R,4R)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(4-hydroxybenzyl)-5-oxoimidazolidin-1-yl]acetic acid
Formula:C15 H21 N3 O5
SMILES:O=C1N(CC(=O)O)C(NC1Cc2ccc(O)cc2)C(N)C(O)C
InChi:InChI=1S/C15H21N3O5/c1-8(19)13(16)14-17-11(15(23)18(14)7-12(21)22)6-9-2-4-10(20)5-3-9/h2-5,8,11,13-14,17,19-20H,6-7,16H2,1H3,(H,21,22)/t8-,11-,13+,14?/m1/s1
Definition date:2008-12-19
Last modified:2023-11-03
Identifier:[(2R,4R)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(4-hydroxybenzyl)-5-oxoimidazolidin-1-yl]acetic acid
CKC
CKC
Name:(3S)-3,7-diaminoheptan-2-one
Formula:C7 H16 N2 O
SMILES:O=C(C)C(N)CCCCN
InChi:InChI=1S/C7H16N2O/c1-6(10)7(9)4-2-3-5-8/h7H,2-5,8-9H2,1H3/t7-/m0/s1
Definition date:2014-09-15
Last modified:2023-11-03
Release date:2014-10-08
Identifier:(3S)-3,7-diaminoheptan-2-one
CLV
CLV
Name:{(2S)-2-[(1S)-1-AMINOETHYL]-5-OXO-2,5-DIHYDRO-1H-IMIDAZOL-1-YL}ACETIC ACID
Formula:C7 H11 N3 O3
SMILES:O=C1C=NC(N1CC(=O)O)C(N)C
InChi:InChI=1S/C7H11N3O3/c1-4(8)7-9-2-5(11)10(7)3-6(12)13/h2,4,7H,3,8H2,1H3,(H,12,13)/t4-,7-/m0/s1
Synonyms:CHROMOPHORE (ALA-PHE-GLY)
Definition date:2007-03-22
Last modified:2023-11-03
Identifier:{(2S)-2-[(1S)-1-aminoethyl]-5-oxo-2,5-dihydro-1H-imidazol-1-yl}acetic acid
CME
CME
Name:S,S-(2-HYDROXYETHYL)THIOCYSTEINE
Formula:C5 H11 N O3 S2
SMILES:O=C(O)C(N)CSSCCO
InChi:InChI=1S/C5H11NO3S2/c6-4(5(8)9)3-11-10-2-1-7/h4,7H,1-3,6H2,(H,8,9)/t4-/m0/s1
Definition date:1999-07-08
Last modified:2023-11-03
Identifier:3-[(2-hydroxyethyl)disulfanyl]-L-alanine
CMH
CMH
Name:S-(METHYLMERCURY)-L-CYSTEINE
Formula:C4 H9 Hg N O2 S
SMILES:O=C(O)C(N)CS[Hg]C
InChi:InChI=1S/C3H7NO2S.CH3.Hg/c4-2(1-7)3(5)6
Definition date:2004-10-29
Last modified:2023-11-03
Identifier:(L-cysteinato-kappaS~3~)(methyl)mercury

223532

數據於2024-08-07公開中

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