EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:220717 - [2-hexadecanoyloxy-3-[6-[[4-hexadecanoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxypropyl] hexadecanoate

ChEBI IDCHEBI:220717
ChEBI Name[2-hexadecanoyloxy-3-[6-[[4-hexadecanoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxypropyl] hexadecanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC63H118O16
Net Charge0
Average Mass1131.621
Monoisotopic Mass1130.84199
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COC1OC(COC2OC(CO)C(O)C(OC(=O)CCCCCCCCCCCCCCC)C2O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C63H118O16/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-53(65)73-47-50(76-54(66)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)48-74-62-59(71)58(70)56(68)52(78-62)49-75-63-60(72)61(57(69)51(46-64)77-63)79-55(67)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h50-52,56-64,68-72H,4-49H2,1-3H3/t50-,51?,52?,56?,57?,58?,59?,60?,61?,62?,63?/m1/s1
InChIKeyJRWOLNKAGPQJTH-NTUMFJOMSA-N
Species of MetaboliteComponentSourceComments
Cyanobacterium (ncbitaxon:102234) - PubMed (9428159)
ChEBI Ontology
Outgoing Relation(s)
[2-hexadecanoyloxy-3-[6-[[4-hexadecanoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxypropyl] hexadecanoate (CHEBI:220717) is a glycosylglycerol derivative (CHEBI:63427)
IUPAC Name 
[(2S)-2-hexadecanoyloxy-3-[6-[[4-hexadecanoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxypropyl] hexadecanoate