CHEBI:204669 - 3,6,2'-Tri-0-acetyl-2-0-octadecanoyl-alpha,alpha-D-trehalose

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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 3,6,2'-Tri-0-acetyl-2-0-octadecanoyl-alpha,alpha-D-trehalose
ChEBI ID CHEBI:204669
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C36H62O15
Net Charge 0
Average Mass 734.877
Monoisotopic Mass 734.40887
InChI InChI=1S/C36H62O15/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28(41)50-34-32(46-24(3)39)30(43)27(22-45-23(2)38)49-36(34)51-35-33(47-25(4)40)31(44)29(42)26(21-37)48-35/h26-27,29-37,42-44H,5-22H2,1-4H3
InChIKey GHMUTNFLPLUFGE-UHFFFAOYSA-N
SMILES O=C(OC1C(OC(COC(=O)C)C(C1OC(=O)C)O)OC2OC(C(O)C(C2OC(=O)C)O)CO)CCCCCCCCCCCCCCCCC
Metabolite of Species Details
Symbiotaphrina lignicola (NCBI:txid177195) See: DOI
ChEBI Ontology
Outgoing 3,6,2'-Tri-0-acetyl-2-0-octadecanoyl-alpha,alpha-D-trehalose (CHEBI:204669) is a fatty acid ester (CHEBI:35748)
IUPAC Name
[4-acetyloxy-2-[3-acetyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(acetyloxymethyl)-5-hydroxyoxan-3-yl] octadecanoate
Manual Xref Database
78444085 ChemSpider
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