CHEBI:181457 - (2S)-2-Amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (2S)-2-Amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid
ChEBI ID CHEBI:181457
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
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Formula C14H20N6O5S
Net Charge 0
Average Mass 384.410
Monoisotopic Mass 384.12159
InChI InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)
InChIKey ZJUKTBDSGOFHSH-UHFFFAOYSA-N
SMILES S(CC1OC(N2C3=NC=NC(N)=C3N=C2)C(O)C1O)CCC(N)C(O)=O
ChEBI Ontology
Outgoing (2S)-2-Amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid (CHEBI:181457) is a nucleobase-containing molecular entity (CHEBI:61120)
IUPAC Name
2-amino-4-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulanyl]butanoic acid
Manual Xrefs Databases
188 ChemSpider
C00021 KEGG COMPOUND
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