CHEBI:214958 - (2S)-3-O-beta-D-galactopyranosyl-1-O-(9Z,12Z-octadecadienoyl)-2-O-(4Z-hexadecenoyl)glycerol

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (2S)-3-O-beta-D-galactopyranosyl-1-O-(9Z,12Z-octadecadienoyl)-2-O-(4Z-hexadecenoyl)glycerol
ChEBI ID CHEBI:214958
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C43H76O10
Net Charge 0
Average Mass 753.071
Monoisotopic Mass 752.54385
InChI InChI=1S/C43H76O10/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(45)50-34-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)52-39(46)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h11,13,17-18,26,28,36-37,40-44,47-49H,3-10,12,14-16,19-25,27,29-35H2,1-2H3/b13-11+,18-17+,28-26+/t36-,37?,40?,41?,42?,43?/m1/s1
InChIKey TZQMKILGXRERAW-FYROMDDRSA-N
SMILES O=C(O[C@H](COC(=O)CCCCCCC/C=C/C/C=C/CCCCC)COC1OC(C(O)C(C1O)O)CO)CC/C=C/CCCCCCCCCCC
Metabolite of Species Details
Oscillatoriaspecies (NCBI:txid1159) See: DOI
ChEBI Ontology
Outgoing (2S)-3-O-beta-D-galactopyranosyl-1-O-(9Z,12Z-octadecadienoyl)-2-O-(4Z-hexadecenoyl)glycerol (CHEBI:214958) is a glycosylglycerol derivative (CHEBI:63427)
IUPAC Name
[(2S)-2-[(E)-hexadec-4-enoyl]oxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (9E,12E)-octadeca-9,12-dienoate
Manual Xref Database
78445434 ChemSpider
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