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CHEBI:45821 - (3R,4S,5R)-5-{[(1R)-1-CARBOXY-2-FLUORO-1-(PHOSPHONOOXY)ETHYL]OXY}-4-HYDROXY-3-(PHOSPHONOOXY)CYCLOHEX-1-ENE-1-CARBOXYLIC ACID

Default Structure
ChEBI IDCHEBI:45821
ChEBI Name(3R,4S,5R)-5-{[(1R)-1-CARBOXY-2-FLUORO-1-(PHOSPHONOOXY)ETHYL]OXY}-4-HYDROXY-3-(PHOSPHONOOXY)CYCLOHEX-1-ENE-1-CARBOXYLIC ACID
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC10H15FO14P2
Net Charge0
Average Mass440.162
Monoisotopic Mass439.99211
SMILES[H]OC(=O)C1=C([H])[C@@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(O[H])[C@]([H])(O[C@@](OP(=O)(O[H])O[H])(C(=O)O[H])C([H])([H])F)C1([H])[H]
InChIInChI=1S/C10H15FO14P2/c11-3-10(9(15)16,25-27(20,21)22)23-5-1-4(8(13)14)2-6(7(5)12)24-26(17,18)19/h2,5-7,12H,1,3H2,(H,13,14)(H,15,16)(H2,17,18,19)(H2,20,21,22)/t5-,6-,7+,10+/m1/s1
InChIKeyHTMVUWTXBMZROV-JQCUSGDOSA-N
ChEBI Ontology
Outgoing Relation(s)
(3R,4S,5R)-5-{[(1R)-1-CARBOXY-2-FLUORO-1-(PHOSPHONOOXY)ETHYL]OXY}-4-HYDROXY-3-(PHOSPHONOOXY)CYCLOHEX-1-ENE-1-CARBOXYLIC ACID (CHEBI:45821) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(3R,4S,5R)-5-[(1R)-1-carboxy-2-fluoro-1-(phosphonooxy)ethoxy]-4-hydroxy-3-(phosphonooxy)cyclohex-1-ene-1-carboxylic acidPDBeChem
(3R,4S,5R)-5-{[(1R)-1-CARBOXY-2-FLUORO-1-(PHOSPHONOOXY)ETHYL]OXY}-4-HYDROXY-3-(PHOSPHONOOXY)CYCLOHEX-1-ENE-1-CARBOXYLIC ACIDPDBeChem
Manual XrefsDatabases
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