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CHEBI:91235 - 19-(4-hydroxyphenyl)nonadecanoyl-AMP(1−)

ChEBI IDCHEBI:91235
ChEBI Name19-(4-hydroxyphenyl)nonadecanoyl-AMP(1−)
Stars
ASCII Name19-(4-hydroxyphenyl)nonadecanoyl-AMP(1-)
DefinitionAn organophosphate oxoanion obtained by deprotonation of the phosphate OH group of 19-(4-hydroxyphenyl)nonadecanoyl-AMP; the major species at pH 7.3.
Last Modified23 September 2019
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC35H53N5O9P
Net Charge-1
Average Mass718.809
Monoisotopic Mass718.35864
SMILESNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OC(=O)CCCCCCCCCCCCCCCCCCc2ccc(O)cc2)[C@@H](O)[C@H]1O
InChIInChI=1S/C35H54N5O9P/c36-33-30-34(38-24-37-33)40(25-39-30)35-32(44)31(43)28(48-35)23-47-50(45,46)49-29(42)18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-26-19-21-27(41)22-20-26/h19-22,24-25,28,31-32,35,41,43-44H,1-18,23H2,(H,45,46)(H2,36,37,38)/p-1/t28-,31-,32-,35-/m1/s1
InChIKeyXXXMYDPTLCPNMO-CQFMLMEWSA-M
ChEBI Ontology
Outgoing Relation(s)
19-(4-hydroxyphenyl)nonadecanoyl-AMP(1−) (CHEBI:91235) is a organophosphate oxoanion (CHEBI:58945)
19-(4-hydroxyphenyl)nonadecanoyl-AMP(1−) (CHEBI:91235) is conjugate base of 19-(4-hydroxyphenyl)nonadecanoyl-AMP (CHEBI:128120)
Incoming Relation(s)
19-(4-hydroxyphenyl)nonadecanoyl-AMP (CHEBI:128120) is conjugate acid of 19-(4-hydroxyphenyl)nonadecanoyl-AMP(1−) (CHEBI:91235)
IUPAC Name 
5'-O-({[19-(4-hydroxyphenyl)nonadecanoyl]oxy}phosphinato)adenosine
Synonym  Source
19-(4-hydroxyphenyl)nonadecanoyl adenylateMetaCyc
UniProt Name  Source
19-(4-hydroxyphenyl)nonadecanoyl-5'-AMPUniProt
Manual XrefsDatabases
CPD-18659MetaCyc