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CHEBI:197987 - (2S)-3-[(9Z,12Z)-9,12-Octadecadienoyloxy]-2-(palmitoyloxy)propyl 6-deoxy-2,3-di-O-palmitoyl-6-sulfo-alpha-D-glucopyranoside

ChEBI IDCHEBI:197987
ChEBI Name(2S)-3-[(9Z,12Z)-9,12-Octadecadienoyloxy]-2-(palmitoyloxy)propyl 6-deoxy-2,3-di-O-palmitoyl-6-sulfo-alpha-D-glucopyranoside
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SubmitterMetaboLights
DownloadsMolfile
FormulaC75H138O14S
Net Charge0
Average Mass1295.982
Monoisotopic Mass1294.98073
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(COC1OC(CS(=O)(=O)O)C(O)C(OC(=O)CCCCCCCCCCCCCCC)C1OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C75H138O14S/c1-5-9-13-17-21-25-29-33-34-38-39-43-47-51-55-59-68(76)84-63-66(86-69(77)60-56-52-48-44-40-35-30-26-22-18-14-10-6-2)64-85-75-74(89-71(79)62-58-54-50-46-42-37-32-28-24-20-16-12-8-4)73(72(80)67(87-75)65-90(81,82)83)88-70(78)61-57-53-49-45-41-36-31-27-23-19-15-11-7-3/h21,25,33-34,66-67,72-75,80H,5-20,22-24,26-32,35-65H2,1-4H3,(H,81,82,83)/b25-21-,34-33-
InChIKeyXKYXXXVGQYGUCV-ZEDQSXHDSA-N
Species of MetaboliteComponentSourceComments
Cyanobacterium (ncbitaxon:102234) - PubMed (9428159)
ChEBI Ontology
Outgoing Relation(s)
(2S)-3-[(9Z,12Z)-9,12-Octadecadienoyloxy]-2-(palmitoyloxy)propyl 6-deoxy-2,3-di-O-palmitoyl-6-sulfo-alpha-D-glucopyranoside (CHEBI:197987) is a glycosylglycerol derivative (CHEBI:63427)
IUPAC Name 
[4,5-di(hexadecanoyloxy)-6-[2-hexadecanoyloxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropoxy]-3-hydroxyoxan-2-yl]methanesulonic acid
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