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2,3-dihydroxybenzoyl-5'-AMP

PropertiesImage
MNX_IDMNXM1978 Image of MNXM1978
referencechebi:57417
formulaC17H17N5O10P
global charge-1
mol weight482.322
InChIKeyULPVJDOMCRTJSN-RVXWVPLUSA-M
InChIInChI=1S/C17H18N5O10P/c18-14-10-15(20-5-19-14)22(6-21-10)16-13(26)12(25)9(31-16)4-30-33(28,29)32-17(27)7-2-1-3-8(23)11(7)24/h1-3,5-6,9,12-13,16,23-26H,4H2,(H,28,29)(H2,18,19,20)/p-1/t9-,12-,13-,16-/m1/s1
SMILESNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OC(=O)c2cccc(O)c2O)[C@@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C17H18N5O10P/c18-14-10-15(20-5-19-14)22(6-21-10)16-13(26)12(25)9(31-16)4-30-33(28,29)32-17(27)7-2-1-3-8(23)11(7)24/h1-3,5-6,9,12-13,16,23-26H,4H2,(H,28,29)(H2,18,19,20)/t9-,12-,13-,16-/m1/s1 Image of MNXM1978
SMILES (mnx)[CH:1]1([C@H:3]2[CH2:7][C@H:12]([CH2:17][NH:19][N:20]([NH:21][O:24]([O:25]3=[O:27]([OH:32])[O:29]([PH2:33])=[O:31][O:30]=[O:28]3)=[O:26])([NH2:22])=[O:23])[C@@H:13]([NH2:18])[C@@H:8]2[CH3:14])[c:2]2[c:5]([c:10]([CH3:16])[cH:15][cH:11][cH:6]2)[CH:9]=[CH:4]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)13
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57417
chebi:57417
ULPVJDOMCRTJSN-RVXWVPLUSA-M 		2,3-dihydroxybenzoyl-5'-AMP
2,3-dihydroxybenzoyl 5'-adenylate(1-)
5'-O-{[(2,3-dihydroxybenzoyl)oxy]phosphinato}adenosine

bigg.metabolite:23dhba
biggM:23dhba
kegg.compound:C04030
keggC:C04030
vmhM:23dhba
vmhM:23dhba
vmhmetabolite:23dhba
vmhmetabolite:23dhba
ULPVJDOMCRTJSN-RVXWVPLUSA-N
ULPVJDOMCRTJSN-UHFFFAOYSA-M 		(2,3-Dihydroxybenzoyl)adenylate

seed.compound:cpd02494
seedM:cpd02494
ULPVJDOMCRTJSN-RVXWVPLUSA-M 		(2,3-Dihydroxybenzoyl)adenylate
(2,3-dihydroxybenzoyl)adenylate
2,3-dihydroxybenzoyl adenylate
2,3-dihydroxybenzoyl-AMP
23dhba

metacyc.compound:CPD-62
metacycM:CPD-62
ULPVJDOMCRTJSN-RVXWVPLUSA-M 		(2,3-dihydroxybenzoyl)adenylate
2,3-dihydroxybenzoyl adenylate
2,3-dihydroxybenzoyl-AMP

CHEBI:15572
chebi:15572
ULPVJDOMCRTJSN-RVXWVPLUSA-N 		2,3-dihydroxybenzoyl 5'-adenylate
(2,3-Dihydroxybenzoyl)adenylate
adenosine 5'-(2,3-dihydroxybenzoyl hydrogen phosphate)

chebi:10846
chebi:170
chebi:18521
biggM:M_23dhba
keggC:M_C04030
seedM:M_cpd02494
vmhM:M_23dhba 		secondary/obsolete/fantasy identifier