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CHEBI:91234 - 17-(4-hydroxyphenyl)heptadecanoyl-AMP(1−)

ChEBI IDCHEBI:91234
ChEBI Name17-(4-hydroxyphenyl)heptadecanoyl-AMP(1−)
Stars
ASCII Name17-(4-hydroxyphenyl)heptadecanoyl-AMP(1-)
DefinitionAn organophosphate oxoanion obtained by deprotonation of the phosphate OH group of 17-(4-hydroxyphenyl)heptadecanoyl-AMP; the major species at pH 7.3.
Last Modified23 September 2019
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC33H49N5O9P
Net Charge-1
Average Mass690.755
Monoisotopic Mass690.32734
SMILESNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OC(=O)CCCCCCCCCCCCCCCCc2ccc(O)cc2)[C@@H](O)[C@H]1O
InChIInChI=1S/C33H50N5O9P/c34-31-28-32(36-22-35-31)38(23-37-28)33-30(42)29(41)26(46-33)21-45-48(43,44)47-27(40)16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-24-17-19-25(39)20-18-24/h17-20,22-23,26,29-30,33,39,41-42H,1-16,21H2,(H,43,44)(H2,34,35,36)/p-1/t26-,29-,30-,33-/m1/s1
InChIKeySNPFUIGRBWOCGB-FTBITJBVSA-M
ChEBI Ontology
Outgoing Relation(s)
17-(4-hydroxyphenyl)heptadecanoyl-AMP(1−) (CHEBI:91234) is a organophosphate oxoanion (CHEBI:58945)
17-(4-hydroxyphenyl)heptadecanoyl-AMP(1−) (CHEBI:91234) is conjugate base of 17-(4-hydroxyphenyl)heptadecanoyl-AMP (CHEBI:127781)
Incoming Relation(s)
17-(4-hydroxyphenyl)heptadecanoyl-AMP (CHEBI:127781) is conjugate acid of 17-(4-hydroxyphenyl)heptadecanoyl-AMP(1−) (CHEBI:91234)
IUPAC Name 
5'-O-({[17-(4-hydroxyphenyl)heptadecanoyl]oxy}phosphinato)adenosine
Synonym  Source
17-(4-hydroxyphenyl)heptadecanoyl adenylateMetaCyc
UniProt Name  Source
17-(4-hydroxyphenyl)heptadecanoyl-5'-AMPUniProt
Manual XrefsDatabases
CPD-18624MetaCyc