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CHEBI:201925 - [(2S,3S,4S,5R,6S)-6-[(2S)-2,3-di(hexadecanoyloxy)propoxy]-4,5-di(hexadecanoyloxy)-3-hydroxy-tetrahydropyran-2-yl]methanesulfonic acid

ChEBI IDCHEBI:201925
ChEBI Name[(2S,3S,4S,5R,6S)-6-[(2S)-2,3-di(hexadecanoyloxy)propoxy]-4,5-di(hexadecanoyloxy)-3-hydroxy-tetrahydropyran-2-yl]methanesulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC73H138O14S
Net Charge0
Average Mass1271.960
Monoisotopic Mass1270.98073
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC1OC(CS(=O)(=O)O)C(O)C(OC(=O)CCCCCCCCCCCCCCC)C1OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C73H138O14S/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-66(74)82-61-64(84-67(75)58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)62-83-73-72(87-69(77)60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)71(70(78)65(85-73)63-88(79,80)81)86-68(76)59-55-51-47-43-39-35-31-27-23-19-15-11-7-3/h64-65,70-73,78H,5-63H2,1-4H3,(H,79,80,81)/t64-,65?,70?,71?,72?,73?/m0/s1
InChIKeyZLDHOSKNQORRAO-UJFMFGCJSA-N
Species of MetaboliteComponentSourceComments
Cyanobacterium (ncbitaxon:102234) - PubMed (9428159)
ChEBI Ontology
Outgoing Relation(s)
[(2S,3S,4S,5R,6S)-6-[(2S)-2,3-di(hexadecanoyloxy)propoxy]-4,5-di(hexadecanoyloxy)-3-hydroxy-tetrahydropyran-2-yl]methanesulfonic acid (CHEBI:201925) is a glycosylglycerol derivative (CHEBI:63427)
IUPAC Name 
[6-[(2R)-2,3-di(hexadecanoyloxy)propoxy]-4,5-di(hexadecanoyloxy)-3-hydroxyoxan-2-yl]methanesulonic acid