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CHEBI:45505 - 5-(1-CARBOXY-1-PHOSPHONOOXY-ETHOXYL)-4-HYDROXY-3-PHOSPHONOOXY-CYCLOHEX-1-ENECARBOXYLIC ACID

Default Structure
ChEBI IDCHEBI:45505
ChEBI Name5-(1-CARBOXY-1-PHOSPHONOOXY-ETHOXYL)-4-HYDROXY-3-PHOSPHONOOXY-CYCLOHEX-1-ENECARBOXYLIC ACID
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC10H16O14P2
Net Charge0
Average Mass422.172
Monoisotopic Mass422.00153
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])[H])C1([H])[H]
InChIInChI=1S/C10H16O14P2/c1-10(9(14)15,24-26(19,20)21)22-5-2-4(8(12)13)3-6(7(5)11)23-25(16,17)18/h3,5-7,11H,2H2,1H3,(H,12,13)(H,14,15)(H2,16,17,18)(H2,19,20,21)/t5-,6-,7+,10+/m1/s1
InChIKeyQUQKBSPZUVNKIF-JQCUSGDOSA-N
ChEBI Ontology
Outgoing Relation(s)
5-(1-CARBOXY-1-PHOSPHONOOXY-ETHOXYL)-4-HYDROXY-3-PHOSPHONOOXY-CYCLOHEX-1-ENECARBOXYLIC ACID (CHEBI:45505) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(3R,4S,5R)-5-[(1S)-1-carboxy-1-(phosphonooxy)ethoxy]-4-hydroxy-3-(phosphonooxy)cyclohex-1-ene-1-carboxylic acidPDBeChem
5-(1-CARBOXY-1-PHOSPHONOOXY-ETHOXYL)-4-HYDROXY-3-PHOSPHONOOXY-CYCLOHEX-1-ENECARBOXYLIC ACIDPDBeChem
Manual XrefsDatabases
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