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

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ChEBI Name 17-(4-hydroxyphenyl)heptadecanoyl-AMP(1−)
ChEBI ID CHEBI:91234
ChEBI ASCII Name 17-(4-hydroxyphenyl)heptadecanoyl-AMP(1-)
Definition An organophosphate oxoanion obtained by deprotonation of the phosphate OH group of 17-(4-hydroxyphenyl)heptadecanoyl-AMP; the major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
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Formula C33H49N5O9P
Net Charge -1
Average Mass 690.745
Monoisotopic Mass 690.32734
InChI InChI=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
InChIKey SNPFUIGRBWOCGB-FTBITJBVSA-M
SMILES C(CCCCCCCCCCCCCCCCC1=CC=C(C=C1)O)(=O)OP(OC[C@H]2O[C@@H](N3C=4N=CN=C(N)C4N=C3)[C@@H]([C@@H]2O)O)(=O)[O-]
ChEBI Ontology
Outgoing 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 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
Synonyms Sources
17-(4-hydroxyphenyl)heptadecanoyl adenylate MetaCyc
17-(4-hydroxyphenyl)heptadecanoyl-5'-AMP UniProt
Manual Xref Database
CPD-18624 MetaCyc
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Last Modified
23 September 2019