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CHEBI:209139 - 3-[(Z)-3-[(3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxydodec-7-enoyl]oxydecanoic acid

ChEBI IDCHEBI:209139
ChEBI Name3-[(Z)-3-[(3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxydodec-7-enoyl]oxydecanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H50O9
Net Charge0
Average Mass530.699
Monoisotopic Mass530.34548
SMILESCCCC/C=C\CCCC(CC(=O)OC(CCCCCCC)CC(=O)O)OC1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C28H50O9/c1-4-6-8-10-11-13-15-17-22(37-28-27(34)26(33)25(32)20(3)35-28)19-24(31)36-21(18-23(29)30)16-14-12-9-7-5-2/h10-11,20-22,25-28,32-34H,4-9,12-19H2,1-3H3,(H,29,30)/b11-10-/t20-,21?,22?,25-,26+,27+,28?/m0/s1
InChIKeyXJGPJMVYQFDHEG-HFDPWBFESA-N
Species of MetaboliteComponentSourceComments
Pseudomonasspecies (ncbitaxon:306) - PubMed (29758007)
ChEBI Ontology
Outgoing Relation(s)
3-[(Z)-3-[(3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxydodec-7-enoyl]oxydecanoic acid (CHEBI:209139) is a glycolipid (CHEBI:33563)
IUPAC Name 
3-[(Z)-3-[(3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxydodec-7-enoyl]oxydecanoic acid
Manual XrefsDatabases
65325041ChemSpider