CHEBI:91896 - 3-[4-[2-[[6-amino-9-[5-(ethylcarbamoyl)-3,4-dihydroxy-2-oxolanyl]-2-purinyl]amino]ethyl]phenyl]propanoic acid

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ChEBI Name 3-[4-[2-[[6-amino-9-[5-(ethylcarbamoyl)-3,4-dihydroxy-2-oxolanyl]-2-purinyl]amino]ethyl]phenyl]propanoic acid
ChEBI ID CHEBI:91896
Stars This entity has been manually annotated by a third party.
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Formula C23H29N7O6
Net Charge 0
Average Mass 499.521
Monoisotopic Mass 499.21793
InChI InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)
InChIKey PAOANWZGLPPROA-UHFFFAOYSA-N
SMILES CCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=C(N=C3N)NCCC4=CC=C(C=C4)CCC(=O)O)O)O
ChEBI Ontology
Outgoing 3-[4-[2-[[6-amino-9-[5-(ethylcarbamoyl)-3,4-dihydroxy-2-oxolanyl]-2-purinyl]amino]ethyl]phenyl]propanoic acid (CHEBI:91896) is a purine nucleoside (CHEBI:26394)
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