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CHEBI:39628 - (2R,4R,5R,6R,7R)-2,4,5,6,7-PENTAHYDROXY-2,8-BIS(PHOSPHONOOXY)OCTANOIC ACID

Default Structure
ChEBI IDCHEBI:39628
ChEBI Name(2R,4R,5R,6R,7R)-2,4,5,6,7-PENTAHYDROXY-2,8-BIS(PHOSPHONOOXY)OCTANOIC ACID
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC8H18O15P2
Net Charge0
Average Mass416.165
Monoisotopic Mass416.01209
SMILES[H]OC(=O)[C@](O[H])(OP(=O)(O[H])O[H])C([H])([H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]([H])(O[H])C([H])([H])OP(=O)(O[H])O[H]
InChIInChI=1S/C8H18O15P2/c9-3(1-8(15,7(13)14)23-25(19,20)21)5(11)6(12)4(10)2-22-24(16,17)18/h3-6,9-12,15H,1-2H2,(H,13,14)(H2,16,17,18)(H2,19,20,21)/t3-,4-,5-,6-,8-/m1/s1
InChIKeyFGVVFQVXYXTAAW-HXUQBWEZSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,4R,5R,6R,7R)-2,4,5,6,7-PENTAHYDROXY-2,8-BIS(PHOSPHONOOXY)OCTANOIC ACID (CHEBI:39628) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2R,4R,5R,6R,7R)-2,4,5,6,7-PENTAHYDROXY-2,8-BIS(PHOSPHONOOXY)OCTANOIC ACIDPDBeChem
(2R,4R,5R,6R,7R)-2,4,5,6,7-pentahydroxy-2,8-bis(phosphonooxy)octanoic acid (non-preferred name)PDBeChem
Manual XrefsDatabases
1NTPDBeChem