CHEBI:62118 - 3-O-(16-hydroxyhexadecanoyl)-2-O-palmitoyl-2'-O-sulfo-α,α-trehalose

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 3-O-(16-hydroxyhexadecanoyl)-2-O-palmitoyl-2'-O-sulfo-α,α-trehalose ChEBI ID CHEBI:62118 ChEBI ASCII Name 3-O-(16-hydroxyhexadecanoyl)-2-O-palmitoyl-2'-O-sulfo-alpha,alpha-trehalose Definition A sulfoglycolipid in which α,α-trehalose, sulfated at the 2'-position, is acylated at the 2-position with palmitic acid, and at the 3-position with 16-hydroxypalmitic acid. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C44H82O17S Net Charge 0 Average Mass 915.17700 Monoisotopic Mass 914.52727 InChI InChI=1S/C44H82O17S/c1-2-3-4-5-6-7-8-10-13-17-20-23-26-29-36(49)59-42-40(58-35(48)28-25-22-19-16-14-11-9-12-15-18-21-24-27-30-45)38(51)34(32-47)57-44(42)60-43-41(61-62(53,54)55)39(52)37(50)33(31-46)56-43/h33-34,37-47,50-52H,2-32H2,1H3,(H,53,54,55)/t33-,34-,37-,38-,39+,40+,41-,42-,43-,44-/m1/s1 InChIKey DZDHEYUJAMAJHI-MWHATQTKSA-N SMILES CCCCCCCCCCCCCCCC(=O)O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1OC(=O)CCCCCCCCCCCCCCCO)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OS(O)(=O)=O ChEBI Ontology Outgoing 3-O-(16-hydroxyhexadecanoyl)-2-O-palmitoyl-2'-O-sulfo-α,α-trehalose (CHEBI:62118) has functional parent α,α-trehalose (CHEBI:16551) 3-O-(16-hydroxyhexadecanoyl)-2-O-palmitoyl-2'-O-sulfo-α,α-trehalose (CHEBI:62118) is a polyacyl α,α-trehalose derivative (CHEBI:62552) 3-O-(16-hydroxyhexadecanoyl)-2-O-palmitoyl-2'-O-sulfo-α,α-trehalose (CHEBI:62118) is a sulfoglycolipid (CHEBI:26829) IUPAC Name 3-O-(16-hydroxyhexadecanoyl)-2-O-palmitoyl-α-D-glucopyranosyl 2-O-sulfo-α-D-glucopyranoside Citation Type Source 19454700 PubMed citation Europe PMC Last Modified 06 July 2011