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CHEBI:45539 - [3R-[3A,4A,5B(S*)]]-5-(1-CARBOXY-1-PHOSPHONOETHOXY)-4-HYDROXY-3-(PHOSPHONOOXY)-1-CYCLOHEXENE-1-CARBOXYLIC ACID

Default Structure
ChEBI IDCHEBI:45539
ChEBI Name[3R-[3A,4A,5B(S*)]]-5-(1-CARBOXY-1-PHOSPHONOETHOXY)-4-HYDROXY-3-(PHOSPHONOOXY)-1-CYCLOHEXENE-1-CARBOXYLIC ACID
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC10H16O13P2
Net Charge0
Average Mass406.173
Monoisotopic Mass406.00661
SMILES[H]OC(=O)C1=C([H])[C@@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(O[H])[C@]([H])(O[C@@](C(=O)O[H])(C([H])([H])[H])P(=O)(O[H])O[H])C1([H])[H]
InChIInChI=1S/C10H16O13P2/c1-10(9(14)15,24(16,17)18)22-5-2-4(8(12)13)3-6(7(5)11)23-25(19,20)21/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
InChIKeyHUOJJMMXOWLGJU-JQCUSGDOSA-N
ChEBI Ontology
Outgoing Relation(s)
[3R-[3A,4A,5B(S*)]]-5-(1-CARBOXY-1-PHOSPHONOETHOXY)-4-HYDROXY-3-(PHOSPHONOOXY)-1-CYCLOHEXENE-1-CARBOXYLIC ACID (CHEBI:45539) is a unclassifieds (CHEBI:27189)
Synonyms  Source
[3R-[3A,4A,5B(S*)]]-5-(1-CARBOXY-1-PHOSPHONOETHOXY)-4-HYDROXY-3-(PHOSPHONOOXY)-1-CYCLOHEXENE-1-CARBOXYLIC ACIDPDBeChem
(3R,4S,5R)-5-[(1S)-1-carboxy-1-phosphonoethoxy]-4-hydroxy-3-(phosphonooxy)cyclohex-1-ene-1-carboxylic acidPDBeChem
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