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3'-O-salicyl-AMP

PropertiesImage
MNX_IDMNXM35960 Image of MNXM35960
referencechebi:60351
formulaC17H18N5O9P
global charge0
mol weight467.331
InChIKeyKYUNJPJOJLXAGY-XNIJJKJLSA-N
InChIInChI=1S/C17H18N5O9P/c18-14-11-15(20-6-19-14)22(7-21-11)16-12(24)13(10(30-16)5-29-32(26,27)28)31-17(25)8-3-1-2-4-9(8)23/h1-4,6-7,10,12-13,16,23-24H,5H2,(H2,18,19,20)(H2,26,27,28)/t10-,12-,13-,16-/m1/s1
SMILESNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](OC(=O)C2=C(O)C=CC=C2)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C17H18N5O9P/c18-14-11-15(20-6-19-14)22(7-21-11)16-12(24)13(10(30-16)5-29-32(26,27)28)31-17(25)8-3-1-2-4-9(8)23/h1-4,6-7,10,12-13,16,23-24H,5H2,(H2,18,19,20)(H2,26,27,28)/t10-,12-,13-,16-/m1/s1 Image of MNXM35960
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:9]([OH:23])[C:8]([C:17](=[O:25])[O:31][C@@H:13]2[C@@H:10]([CH2:5][O:29][P:32]([OH:26])([OH:27])=[O:28])[O:30][C@@H:16]([N:22]3[CH:7]=[N:21][C:11]4=[C:14]([NH2:18])[N:19]=[CH:6][N:20]=[C:15]43)[C@@H:12]2[OH:24])=[CH:3]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:60351
chebi:60351
KYUNJPJOJLXAGY-XNIJJKJLSA-N 		3'-O-salicyl-AMP
2-hydroxybenzoyl-AMP
3'-O-(2-hydroxybenzoyl)adenosine 5'-(dihydrogen phosphate)

CHEBI:142981
chebi:142981
KYUNJPJOJLXAGY-XNIJJKJLSA-L 		3'-O-salicyl-AMP
3'-O-salicyl-AMP(2-)