CHEBI:131949 - validone 7-phosphate

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ChEBI Name validone 7-phosphate ChEBI ID CHEBI:131949 Definition A cyclitol phosphate that is validone carrying a single monophosphate substituent at position 7. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C7H13O8P Net Charge 0 Average Mass 256.147 Monoisotopic Mass 256.03480 InChI InChI=1S/C7H13O8P/c8-4-1-3(2-15-16(12,13)14)5(9)7(11)6(4)10/h3,5-7,9-11H,1-2H2,(H2,12,13,14)/t3-,5-,6+,7+/m1/s1 InChIKey TWEGOAYSXFKLRS-UMWONPOSSA-N SMILES [C@H]1([C@H](CC([C@@H]([C@H]1O)O)=O)COP(O)(=O)O)O ChEBI Ontology Outgoing validone 7-phosphate (CHEBI:131949) has functional parent validone (CHEBI:111542) validone 7-phosphate (CHEBI:131949) is a cyclitol phosphate (CHEBI:23450) validone 7-phosphate (CHEBI:131949) is a hydroxycyclohexanone (CHEBI:24693) validone 7-phosphate (CHEBI:131949) is a triol (CHEBI:27136) validone 7-phosphate (CHEBI:131949) is conjugate acid of validone 7-phosphate(2−) (CHEBI:111523) Incoming validone 7-phosphate(2−) (CHEBI:111523) is conjugate base of validone 7-phosphate (CHEBI:131949) IUPAC Name [(1R,2R,3S,4R)-2,3,4-trihydroxy-5-oxocyclohexyl]methyl dihydrogen phosphate Manual Xref Database CPD-9668 MetaCyc View more database links Citations Types Sources 16632251 PubMed citation Europe PMC 17335096 PubMed citation Europe PMC Last Modified 18 May 2016