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L-threonyl-5'-AMP

PropertiesImage
MNX_IDMNXM18960 Image of MNXM18960
referencechebi:64847
formulaC14H20N6O9P
global charge-1
mol weight447.321
InChIKeyYYBNSQASHCKPHX-DWVDDHQFSA-M
InChIInChI=1S/C14H21N6O9P/c1-5(21)7(15)14(24)29-30(25,26)27-2-6-9(22)10(23)13(28-6)20-4-19-8-11(16)17-3-18-12(8)20/h3-7,9-10,13,21-23H,2,15H2,1H3,(H,25,26)(H2,16,17,18)/p-1/t5-,6-,7+,9-,10-,13-/m1/s1
SMILESC[C@@H](O)[C@H](N)C(=O)OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C14H21N6O9P/c1-5(21)7(15)14(24)29-30(25,26)27-2-6-9(22)10(23)13(28-6)20-4-19-8-11(16)17-3-18-12(8)20/h3-7,9-10,13,21-23H,2,15H2,1H3,(H,25,26)(H2,16,17,18)/t5-,6-,7+,9-,10-,13-/m1/s1 Image of MNXM18960
SMILES (mnx)[CH3:1][C@H:5]([C@@H:7]([C:14](=[O:24])[O:29][P:30]([OH:25])(=[O:26])[O:27][CH2:2][C@@H:6]1[C@@H:9]([OH:22])[C@@H:10]([OH:23])[C@H:13]([N:20]2[CH:4]=[N:19][C:8]3=[C:11]([NH2:16])[N:17]=[CH:3][N:18]=[C:12]32)[O:28]1)[NH2:15])[OH:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)10
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:64847
chebi:64847
YYBNSQASHCKPHX-DWVDDHQFSA-M 		L-threonyl-5'-AMP
5'-O-({[(2S,3R)-2-amino-3-hydroxybutanoyl]oxy}phosphinato)adenosine
5'-O-[(L-threonyloxy)phosphinato]adenosine
5'-adenylic acid L-serine anhydride(1-)
5'-adenylic acid L-threonine anhydride anion
L-threonyl-AMP(1-)
L-threonyl-adenylate(1-)

kegg.compound:C22386
keggC:C22386
YYBNSQASHCKPHX-DWVDDHQFSA-N 		(L-Threonyl)adenylate

metacyc.compound:CPD-9994
metacycM:CPD-9994
YYBNSQASHCKPHX-DWVDDHQFSA-N 		(L-threonyl)adenylate
L-threonyl-AMP
L-threonyl-adenylate

seed.compound:cpd25932
seedM:cpd25932
YYBNSQASHCKPHX-DWVDDHQFSA-N 		L-threonyl-AMP
(L-threonyl)adenylate
L-threonyl-adenylate

CHEBI:64851
chebi:64851
YYBNSQASHCKPHX-DWVDDHQFSA-N 		L-threonyl-AMP
5'-O-[(L-threonyloxy)(hydroxy)phosphoryl]adenosine
5'-O-[{[(2S,3R)-2-amino-3-hydroxybutanoyl]oxy}(hydroxy)phosphoryl]adenosine
5'-adenylic acid L-threonine anhydride
L-threonyl adenylate
threonyl adenylate

keggC:M_C22386
seedM:M_cpd25932 		secondary/obsolete/fantasy identifier