CHEBI:176872 - alpha,alpha'-Trehalose 6-palmitate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 alpha,alpha'-Trehalose 6-palmitate
ChEBI ID CHEBI:176872
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H52O12
Net Charge 0
Average Mass 580.712
Monoisotopic Mass 580.34588
InChI InChI=1S/C28H52O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(30)37-17-19-22(32)24(34)26(36)28(39-19)40-27-25(35)23(33)21(31)18(16-29)38-27/h18-19,21-29,31-36H,2-17H2,1H3/t18-,19-,21-,22-,23+,24+,25-,26-,27-,28-/m1/s1
InChIKey VNHFMAKRYDWMAF-FJUFGMPQSA-N
SMILES O([C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)COC(=O)CCCCCCCCCCCCCCC)[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO
Metabolite of Species Details
Trypanosoma congolense (NCBI:txid5692) Found in Whole Organism (THESAURUS.OWL#C13413). See: MetaboLights Study
ChEBI Ontology
Outgoing alpha,alpha'-Trehalose 6-palmitate (CHEBI:176872) is a lipopolysaccharide (CHEBI:16412)
IUPAC Name
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl hexadecanoate
Manual Xrefs Databases
30791404 ChemSpider
C04265 KEGG COMPOUND
View more database links