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

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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
ChEBI ID CHEBI:201925
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C73H138O14S
Net Charge 0
Average Mass 1271.950
Monoisotopic Mass 1270.98073
InChI InChI=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
InChIKey ZLDHOSKNQORRAO-UJFMFGCJSA-N
SMILES S(=O)(=O)(O)CC1OC(OC[C@@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)C(OC(=O)CCCCCCCCCCCCCCC)C(C1O)OC(=O)CCCCCCCCCCCCCCC
Metabolite of Species Details
Cyanobacterium (NCBI:txid102234) See: PubMed
ChEBI Ontology
Outgoing [(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