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CHEBI:200325 - [(2S)-2-hexadecanoyloxy-3-[(2S,3R,4S,5S,6R)-6-[[(2S,3R,4S,5S,6R)-4-hexadecanoyloxy-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-propyl] (9E,12E,15E)-octadeca-9,12,15-trienoate

ChEBI IDCHEBI:200325
ChEBI Name[(2S)-2-hexadecanoyloxy-3-[(2S,3R,4S,5S,6R)-6-[[(2S,3R,4S,5S,6R)-4-hexadecanoyloxy-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-propyl] (9E,12E,15E)-octadeca-9,12,15-trienoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC65H116O16
Net Charge0
Average Mass1153.627
Monoisotopic Mass1152.82634
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(COC1OC(COC2OC(CO)C(O)C(OC(=O)CCCCCCCCCCCCCCC)C2O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C65H116O16/c1-4-7-10-13-16-19-22-25-26-29-30-33-36-39-42-45-55(67)75-49-52(78-56(68)46-43-40-37-34-31-27-23-20-17-14-11-8-5-2)50-76-64-61(73)60(72)58(70)54(80-64)51-77-65-62(74)63(59(71)53(48-66)79-65)81-57(69)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3/h7,10,16,19,25-26,52-54,58-66,70-74H,4-6,8-9,11-15,17-18,20-24,27-51H2,1-3H3/b10-7-,19-16-,26-25-
InChIKeyLUJVGUPZCJTKPB-FJYSWILXSA-N
Species of MetaboliteComponentSourceComments
Cyanobacterium (ncbitaxon:102234) - PubMed (9428159)
ChEBI Ontology
Outgoing Relation(s)
[(2S)-2-hexadecanoyloxy-3-[(2S,3R,4S,5S,6R)-6-[[(2S,3R,4S,5S,6R)-4-hexadecanoyloxy-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-propyl] (9E,12E,15E)-octadeca-9,12,15-trienoate (CHEBI:200325) is a glycosylglycerol derivative (CHEBI:63427)
IUPAC Name 
[2-hexadecanoyloxy-3-[6-[[4-hexadecanoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxypropyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
Manual XrefsDatabases
78443633ChemSpider