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CHEBI:45216 - (2E,4R,5S)-2,3,4,5-tetrahydroxy-6-(palmitoyloxy)hex-2-enoic acid

Default Structure
ChEBI IDCHEBI:45216
ChEBI Name(2E,4R,5S)-2,3,4,5-tetrahydroxy-6-(palmitoyloxy)hex-2-enoic acid
Stars
DownloadsMolfile
FormulaC22H40O8
Net Charge0
Average Mass432.554
Monoisotopic Mass432.27232
SMILES[H]OC(=O)/C(O[H])=C(/O[H])[C@]([H])(O[H])[C@@]([H])(O[H])C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
InChIInChI=1S/C22H40O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(24)30-16-17(23)19(25)20(26)21(27)22(28)29/h17,19,23,25-27H,2-16H2,1H3,(H,28,29)/b21-20-/t17-,19+/m0/s1
InChIKeyXWTWKBKNEMLBKW-KCWNHAIFSA-N
ChEBI Ontology
Outgoing Relation(s)
(2E,4R,5S)-2,3,4,5-tetrahydroxy-6-(palmitoyloxy)hex-2-enoic acid (CHEBI:45216) is a unclassifieds (CHEBI:27189)
Synonym  Source
(2E,4R,5S)-2,3,4,5-tetrahydroxy-6-(palmitoyloxy)hex-2-enoic acidPDBeChem
Manual XrefsDatabases
PVCPDBeChem