(E)-(4,5-bis(heptadecanoyloxy)-6-(2-(heptadecanoyloxy)-3-(hexadec-9-enoyloxy)propoxy)-3-hydroxytetrahydro-2H-pyran-2-yl)methanesulfonic acid (CHEBI:209330)

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CHEBI:209330 - (E)-(4,5-bis(heptadecanoyloxy)-6-(2-(heptadecanoyloxy)-3-(hexadec-9-enoyloxy)propoxy)-3-hydroxytetrahydro-2H-pyran-2-yl)methanesulfonic acid

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ChEBI ID	CHEBI:209330
ChEBI Name	(E)-(4,5-bis(heptadecanoyloxy)-6-(2-(heptadecanoyloxy)-3-(hexadec-9-enoyloxy)propoxy)-3-hydroxytetrahydro-2H-pyran-2-yl)methanesulfonic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C76H142O14S
Net Charge	0
Average Mass	1312.025
Monoisotopic Mass	1311.01203
SMILES	CCCCCC/C=C/CCCCCCCC(=O)OCC(COC1OC(CS(=O)(=O)O)C(O)C(OC(=O)CCCCCCCCCCCCCCCC)C1OC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC
InChI	InChI=1S/C76H142O14S/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-70(78)87-67(64-85-69(77)60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)65-86-76-75(90-72(80)63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)74(73(81)68(88-76)66-91(82,83)84)89-71(79)62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h28,32,67-68,73-76,81H,5-27,29-31,33-66H2,1-4H3,(H,82,83,84)/b32-28+
InChIKey	QSPSUWAZPXEFIJ-VEWQFJOQSA-N

Species of Metabolite	Component	Source	Comments
Cyanobacterium (ncbitaxon:102234)	-	PubMed (9428159)

ChEBI Ontology

Outgoing Relation(s)
	(E)-(4,5-bis(heptadecanoyloxy)-6-(2-(heptadecanoyloxy)-3-(hexadec-9-enoyloxy)propoxy)-3-hydroxytetrahydro-2H-pyran-2-yl)methanesulfonic acid (CHEBI:209330) is a glycosylglycerol derivative (CHEBI:63427)

IUPAC Name
[4,5-di(heptadecanoyloxy)-6-[2-heptadecanoyloxy-3-[(E)-hexadec-9-enoyl]oxypropoxy]-3-hydroxyoxan-2-yl]methanesulonic acid

Manual Xrefs	Databases
78444384	ChemSpider