CHEBI:85720 - oxetanocin A 4-phosphate(2−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name oxetanocin A 4-phosphate(2−)
ChEBI ID CHEBI:85720
ChEBI ASCII Name oxetanocin A 4-phosphate(2-)
Definition An organophosphate oxoanion resulting from the removal of both of the protons from the dihydrogen phosphate group of oxetanocin A 4-(dihydrogen phosphate).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Gemma Holliday
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C10H12N5O6P
Net Charge -2
Average Mass 329.20700
Monoisotopic Mass 329.05362
InChI InChI=1S/C10H14N5O6P/c11-8-7-9(13-3-12-8)15(4-14-7)10-5(1-16)6(21-10)2-20-22(17,18)19/h3-6,10,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/p-2/t5-,6-,10-/m1/s1
InChIKey YHDKOVKCJODYNM-OXOINMOOSA-L
SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])([O-])=O)[C@H]1CO
ChEBI Ontology
Outgoing oxetanocin A 4-phosphate(2−) (CHEBI:85720) is a organophosphate oxoanion (CHEBI:58945)
oxetanocin A 4-phosphate(2−) (CHEBI:85720) is conjugate acid of oxetanocin A 4-(dihydrogen phosphate) (CHEBI:86011)
Incoming oxetanocin A 4-(dihydrogen phosphate) (CHEBI:86011) is conjugate base of oxetanocin A 4-phosphate(2−) (CHEBI:85720)
IUPAC Name
[(2S,3R,4R)-4-(6-amino-9H-purin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methyl phosphate
Citation Waiting for Citations Type Source
22172915 PubMed citation SUBMITTER
Last Modified
14 June 2015