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4-hydroxybenzoyl-5'-AMP

PropertiesImage
MNX_IDMNXM146972 Image of MNXM146972
referencechebi:86435
formulaC17H17N5O9P
global charge-1
mol weight466.323
InChIKeyDMJCKNFAONBFQI-XNIJJKJLSA-M
InChIInChI=1S/C17H18N5O9P/c18-14-11-15(20-6-19-14)22(7-21-11)16-13(25)12(24)10(30-16)5-29-32(27,28)31-17(26)8-1-3-9(23)4-2-8/h1-4,6-7,10,12-13,16,23-25H,5H2,(H,27,28)(H2,18,19,20)/p-1/t10-,12-,13-,16-/m1/s1
SMILESNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OC(=O)C2=CC=C(O)C=C2)[C@@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C17H18N5O9P/c18-14-11-15(20-6-19-14)22(7-21-11)16-13(25)12(24)10(30-16)5-29-32(27,28)31-17(26)8-1-3-9(23)4-2-8/h1-4,6-7,10,12-13,16,23-25H,5H2,(H,27,28)(H2,18,19,20)/t10-,12-,13-,16-/m1/s1 Image of MNXM146972
SMILES (mnx)[CH:1]1=[CH:3][C:9]([OH:23])=[CH:4][CH:2]=[C:8]1[C:17](=[O:26])[O:31][P:32]([OH:27])(=[O:28])[O:29][CH2:5][C@@H:10]1[C@@H:12]([OH:24])[C@@H:13]([OH:25])[C@H:16]([N:22]2[CH:7]=[N:21][C:11]3=[C:14]([NH2:18])[N:19]=[CH:6][N:20]=[C:15]32)[O:30]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:86435
chebi:86435
DMJCKNFAONBFQI-XNIJJKJLSA-M 		4-hydroxybenzoyl-5'-AMP
4-hydroxybenzoyl-AMP(1-)
5'-O-{[(4-hydroxybenzoyl)oxy]phosphinato}adenosine

kegg.compound:C21497
keggC:C21497
DMJCKNFAONBFQI-XNIJJKJLSA-N 		4-Hydroxybenzoyl-adenylate
4-Hydroxybenzoyl-AMP

CHEBI:86433
chebi:86433
DMJCKNFAONBFQI-XNIJJKJLSA-N 		4-hydroxybenzoyl-AMP
4-hydroxybenzoyl adenylate
5'-O-{hydroxy[(4-hydroxybenzoyl)oxy]phosphoryl}adenosine

metacyc.compound:CPD-18621
metacycM:CPD-18621
seed.compound:cpd32564
seedM:cpd32564
DMJCKNFAONBFQI-XNIJJKJLSA-M 		4-hydroxybenzoyl-adenylate

keggC:M_C21497
seedM:M_cpd32564 		secondary/obsolete/fantasy identifier