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UBR
UBR
Name:5-bromo-2'-deoxyuridine 5'-(dihydrogen phosphate)
Formula:C9 H12 Br N2 O8 P
SMILES:BrC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O
InChi:InChI=1/C9H12BrN2O8P/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18)/t5-,6+,7+/m0/s1
Definition date:2008-03-26
Last modified:2009-04-07
Identifier:5-bromo-2'-deoxyuridine 5'-(dihydrogen phosphate)
TML
TML
Name:METHYL PART OF N-TRIMETHYLLYSINE
Formula:C3 H9
SMILES:[CH3].[CH3].[CH3]
InChi:InChI=1/3CH4/h3*1H4
Definition date:1999-07-08
Last modified:2009-04-06
Identifier:$l^{3}-carbane
PF
PF
Name:PROFLAVINE
Formula:C13 H12 N3
SMILES:c3(ccc2cc1ccc(N)cc1[nH+]c2c3)N
InChi:InChI=1/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2/p+1/fC13H12N3/h16H/q+1
Definition date:1999-07-08
Last modified:2009-01-23
Identifier:3,6-diaminoacridinium
G32
G32
Name:O6-METHYL-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE
Formula:C11 H16 N5 O7 P
SMILES:O=P(O)(O)OCC3OC(n2cnc1c2nc(nc1OC)N)CC3O
InChi:InChI=1/C11H16N5O7P/c1-21-10-8-9(14-11(12)15-10)16(4-13-8)7-2-5(17)6(23-7)3-22-24(18,19)20/h4-7,17H,2-3H2,1H3,(H2,12,14,15)(H2,18,19,20)/t5-,6+,7+/m0/s1/f/h18-19H,12H2
Definition date:1994-04-30
Last modified:2009-01-07
Identifier:9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-methoxy-9H-purin-2-amine
G42
G42
Name:8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE
Formula:C10 H14 N5 O8 P
SMILES:O=C1C=2NC(=O)N(C=2N=C(N)N1)C3OC(C(O)C3)COP(=O)(O)O
InChi:InChI=1/C10H14N5O8P/c11-9-13-7-6(8(17)14-9)12-10(18)15(7)5-1-3(16)4(23-5)2-22-24(19,20)21/h3-5,16H,1-2H2,(H,12,18)(H2,19,20,21)(H3,11,13,14,17)/t3-,4+,5+/m0/s1/f/h12,14,19-20H,11H2
Definition date:1995-02-27
Last modified:2009-01-07
Identifier:2'-deoxy-8-oxoguanosine 5'-(dihydrogen phosphate)
GCM
GCM
Name:GLYCYLMETHYLENE GROUP
Formula:C3 H7 N O
SMILES:O=C(C)CN
InChi:InChI=1/C3H7NO/c1-3(5)2-4/h2,4H2,1H3
Definition date:1999-07-08
Last modified:2009-01-07
Identifier:1-aminopropan-2-one
MGY
MGY
Name:N-METHYLGLYCINE
Formula:C3 H7 N O2
SMILES:O=C(O)CNC
InChi:InChI=1/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)/f/h5H
Definition date:1999-07-08
Last modified:2009-01-07
Identifier:N-methylglycine
NTY
NTY
Name:BETA NOR-TYROSINE
Formula:C8 H9 N O3
SMILES:O=C(O)C(N)c1ccc(O)cc1
InChi:InChI=1/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m1/s1/f/h11H
Definition date:2002-09-02
Last modified:2009-01-07
Identifier:(2R)-amino(4-hydroxyphenyl)ethanoic acid
HAC
HAC
Name:BETA-CYCLOHEXYL-ALANINE
Formula:C9 H17 N O2
SMILES:O=C(O)C(N)CC1CCCCC1
InChi:InChI=1/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/f/h11H
Definition date:1999-07-08
Last modified:2009-01-07
Identifier:3-cyclohexyl-L-alanine
HPC
HPC
Name:3-AMINO-4-PHENYL-BUTAN-2-ONE
Formula:C10 H13 N O
SMILES:O=C(C(N)Cc1ccccc1)C
InChi:InChI=1/C10H13NO/c1-8(12)10(11)7-9-5-3-2-4-6-9/h2-6,10H,7,11H2,1H3/t10-/m0/s1
Definition date:1999-09-07
Last modified:2009-01-07
Identifier:(3S)-3-amino-4-phenylbutan-2-one
HV5
HV5
Name:TERT-BUTYLALANINE
Formula:C6 H13 N O2
SMILES:O=C(O)C(N)C(C)(C)C
InChi:InChI=1/C6H13NO2/c1-6(2,3)4(7)5(8)9/h4H,7H2,1-3H3,(H,8,9)/t4-/m1/s1/f/h8H
Definition date:1999-07-08
Last modified:2009-01-07
Identifier:3-methyl-L-valine
PAS
PAS
Name:2-AMINO-4-OXO-4-PHOSPHONOOXY-BUTYRIC ACID
Formula:C4 H8 N O7 P
SMILES:O=C(OP(=O)(O)O)CC(C(=O)O)N
InChi:InChI=1/C4H8NO7P/c5-2(4(7)8)1-3(6)12-13(9,10)11/h2H,1,5H2,(H,7,8)(H2,9,10,11)/t2-/m0/s1/f/h7,9-10H
Synonyms:PHOSPHORYLATED ASPARTATE
Definition date:1999-10-13
Last modified:2009-01-07
Identifier:4-oxo-O-phosphono-L-homoserine
PCC
PCC
Name:5-OXOPROLINE
Formula:C5 H7 N O3
SMILES:O=C(O)C1NC(=O)CC1
InChi:InChI=1/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1/f/h6,8H
Synonyms:PYROGLUTAMIC ACID
Definition date:1999-07-08
Last modified:2009-01-07
Identifier:5-oxo-L-proline
PDL
PDL
Name:N-(5'-PHOSPHOPYRIDOXYL)-L-ALANINE
Formula:C11 H17 N2 O7 P
SMILES:O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)C
InChi:InChI=1/C11H17N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3,7,13-14H,4-5H2,1-2H3,(H,15,16)(H2,17,18,19)/t7-/m0/s1/f/h15,17-18H
Definition date:2002-03-18
Last modified:2009-01-07
Identifier:N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-alanine
PGY
PGY
Name:PHENYLGLYCINE
Formula:C8 H9 N O2
SMILES:O=C(O)C(N)c1ccccc1
InChi:InChI=1/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11)/t7-/m1/s1/f/h10H
Definition date:1999-07-08
Last modified:2009-01-07
Identifier:(2R)-amino(phenyl)ethanoic acid
PVL
PVL
Name:PYRUVOYL GROUP
Formula:C3 H4 O2
SMILES:O=CC(=O)C
InChi:InChI=1/C3H4O2/c1-3(5)2-4/h2H,1H3
Definition date:1999-07-08
Last modified:2009-01-07
Identifier:2-oxopropanal
RT
RT
Name:RIBOSYLTHYMINE-5'-MONOPHOSPHATE
Formula:C10 H15 N2 O9 P
SMILES:O=C1NC(=O)N(C=C1C)C2OC(C(O)C2O)COP(=O)(O)O
InChi:InChI=1/C10H15N2O9P/c1-4-2-12(10(16)11-8(4)15)9-7(14)6(13)5(21-9)3-20-22(17,18)19/h2,5-7,9,13-14H,3H2,1H3,(H,11,15,16)(H2,17,18,19)/t5-,6-,7-,9-/m1/s1/f/h11,17-18H
Definition date:2001-06-01
Last modified:2009-01-07
Identifier:5-methyluridine 5'-(dihydrogen phosphate)
5HP
5HP
Name:PYROGLUTAMIC ACID
Formula:C5 H7 N O3
SMILES:O=C(O)C1NC(=O)CC1
InChi:InChI=1/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1/f/h6,8H
Definition date:1999-07-08
Last modified:2009-01-07
Identifier:5-oxo-L-proline
5IT
5IT
Name:5-IODO-THYMIDINE-5'-PHOSPHATE
Formula:C9 H12 I N2 O8 P
SMILES:IC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O
InChi:InChI=1/C9H12IN2O8P/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18)/t5-,6+,7+/m0/s1/f/h11,16-17H
Definition date:1999-07-08
Last modified:2009-01-07
Identifier:2'-deoxy-5-iodouridine 5'-(dihydrogen phosphate)
S4U
S4U
Name:4-THIOURIDINE-5'-PHOSPHATE
Formula:C9 H13 N2 O8 P S
SMILES:S=C1NC(=O)N(C=C1)C2OC(C(O)C2O)COP(=O)(O)O
InChi:InChI=1/C9H13N2O8PS/c12-6-4(3-18-20(15,16)17)19-8(7(6)13)11-2-1-5(21)10-9(11)14/h1-2,4,6-8,12-13H,3H2,(H,10,14,21)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1/f/h10,15-16H
Definition date:1999-07-08
Last modified:2009-01-07
Identifier:1-(5-O-phosphono-beta-D-ribofuranosyl)-4-thioxo-3,4-dihydropyrimidin-2(1H)-one
SEG
SEG
Name:HYDROXYALANINE
Formula:C3 H7 N O3
SMILES:O=C(O)C(N)CO
InChi:InChI=1/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1/f/h6H
Definition date:1999-07-08
Last modified:2009-01-07
Identifier:L-serine
OIP
OIP
Name:2'-DEOXY-INOSINIC ACID
Formula:C10 H13 N4 O7 P
SMILES:O=C1c2ncn(c2N=CN1)C3OC(C(O)C3)COP(=O)(O)O
InChi:InChI=1/C10H13N4O7P/c15-5-1-7(21-6(5)2-20-22(17,18)19)14-4-13-8-9(14)11-3-12-10(8)16/h3-7,15H,1-2H2,(H,11,12,16)(H2,17,18,19)/t5-,6+,7+/m0/s1/f/h12,17-18H
Definition date:1999-07-08
Last modified:2009-01-07
Identifier:2'-deoxy-5'-inosinic acid
OLE
OLE
Name:2-HYDROXY-4-METHYL-PENTANOIC ACID
Formula:C6 H12 O3
SMILES:O=C(O)C(O)CC(C)C
InChi:InChI=1/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t5-/m0/s1/f/h8H
Definition date:1999-07-08
Last modified:2009-01-07
Identifier:(2S)-2-hydroxy-4-methylpentanoic acid
OTB
OTB
Name:TERTIARY-BUTOXYFORMIC ACID
Formula:C5 H10 O3
SMILES:O=C(O)OC(C)(C)C
InChi:InChI=1/C5H10O3/c1-5(2,3)8-4(6)7/h1-3H3,(H,6,7)/f/h6H
Definition date:1999-07-08
Last modified:2009-01-07
Identifier:tert-butyl hydrogen carbonate
RON
RON
Name:NORVALINE
Formula:C5 H11 N O2
SMILES:O=C(O)C(N)CCC
InChi:InChI=1/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1/f/h7H
Definition date:1999-07-08
Last modified:2009-01-07
Identifier:L-norvaline

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数据于2025-05-07公开中

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