CHEBI:206545 - 3,6,6'-Tri-0-ocetyl-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 3,6,6'-Tri-0-ocetyl-2-0-octadecanoyl-alpha,alpha-D-trehalose
ChEBI ID CHEBI:206545
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(40)50-34-33(47-25(4)39)30(42)27(22-46-24(3)38)49-36(34)51-35-32(44)31(43)29(41)26(48-35)21-45-23(2)37/h26-27,29-36,41-44H,5-22H2,1-4H3
InChIKey YTSDYPBFZODQLO-UHFFFAOYSA-N
SMILES O=C(OC1C(OC(COC(=O)C)C(C1OC(=O)C)O)OC2OC(C(O)C(C2O)O)COC(=O)C)CCCCCCCCCCCCCCCCC
Metabolite of Species Details
Symbiotaphrina lignicola (NCBI:txid177195) See: DOI
ChEBI Ontology
Outgoing 3,6,6'-Tri-0-ocetyl-2-0-octadecanoyl-alpha,alpha-D-trehalose (CHEBI:206545) is a fatty acid ester (CHEBI:35748)
IUPAC Name
[4-acetyloxy-6-(acetyloxymethyl)-2-[6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxyoxan-3-yl] octadecanoate
Manual Xref Database
78444369 ChemSpider
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