Search MNXref
 Feedback

2-oxo-ATP

PropertiesImage
MNX_IDMNXM14255 Image of MNXM14255
referencechebi:172878
formulaC10H12N5O14P3
global charge-4
mol weight519.149
InChIKeyDJHOBIUAJLDRDQ-UUOKFMHZSA-J
InChIInChI=1S/C10H16N5O14P3/c11-7-4-8(14-10(18)13-7)15(2-12-4)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/p-4/t3-,5-,6-,9-/m1/s1
SMILESNC1=NC(=O)NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C10H16N5O14P3/c11-7-4-8(14-10(18)13-7)15(2-12-4)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 Image of MNXM14255
SMILES (mnx)[CH2:1]([C@@H:3]1[C@@H:5]([OH:16])[C@@H:6]([OH:17])[C@H:9]([N:15]2[CH:2]=[N:12][C:4]3=[C:8]2[N:14]=[C:10]([OH:18])[N:13]=[C:7]3[NH2:11])[O:27]1)[O:26][P:31]([OH:22])(=[O:23])[O:29][P:32]([OH:24])(=[O:25])[O:28][P:30]([OH:19])([OH:20])=[O:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-9731240
reactomeM:R-ALL-9731240
CHEBI:172878
chebi:172878
DJHOBIUAJLDRDQ-UUOKFMHZSA-J 		2-oxo-ATP
2-oxo-ATP tetraanion
2-oxo-ATP(4-)
2-oxo-adenosine 5'-triphosphate tetraanion

CHEBI:65119
chebi:65119
DJHOBIUAJLDRDQ-UUOKFMHZSA-N 		2-hydroxy-ATP
2-OH-ATP
2-hydroxyadenosine 5'-(tetrahydrogen triphosphate)
2-hydroxyadenosine 5'-triphosphate

CHEBI:169970
chebi:169970
DJHOBIUAJLDRDQ-UUOKFMHZSA-J 		2-hydroxy-ATP
2-hydroxy-5'-O-({[(phosphonatooxy)phosphinato]oxy}phosphinato)adenosine
2-hydroxy-ATP tetraanion
2-hydroxy-ATP(4-)
2-hydroxyadenosine 5'-triphosphate tetraanion