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CHEBI:212016 - 3-[(E)-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxydec-5-enoyl]oxydodecanoic acid

ChEBI IDCHEBI:212016
ChEBI Name3-[(E)-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxydec-5-enoyl]oxydodecanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H50O9
Net Charge0
Average Mass530.699
Monoisotopic Mass530.34548
SMILESCCCC/C=C/CC(CC(=O)OC(CCCCCCCCC)CC(=O)O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C28H50O9/c1-4-6-8-10-11-13-15-16-21(18-23(29)30)36-24(31)19-22(17-14-12-9-7-5-2)37-28-27(34)26(33)25(32)20(3)35-28/h12,14,20-22,25-28,32-34H,4-11,13,15-19H2,1-3H3,(H,29,30)/b14-12+/t20-,21?,22?,25-,26+,27+,28-/m0/s1
InChIKeyGWXLTEUAMDVFFH-SBYIBVSJSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas (ncbitaxon:286) - PubMed (27128927)
ChEBI Ontology
Outgoing Relation(s)
3-[(E)-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxydec-5-enoyl]oxydodecanoic acid (CHEBI:212016) is a glycolipid (CHEBI:33563)
IUPAC Name 
3-[(E)-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxydec-5-enoyl]oxydodecanoic acid
Manual XrefsDatabases
58196839ChemSpider