CHEBI:62128 - 3-O-[(2E,4S)-2,4-dimethyldocos-2-enoyl]-2-O-palmitoyl-2'-O-sulfo-α,α-trehalose

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ChEBI Name 3-O-[(2E,4S)-2,4-dimethyldocos-2-enoyl]-2-O-palmitoyl-2'-O-sulfo-α,α-trehalose
ChEBI ID CHEBI:62128
ChEBI ASCII Name 3-O-[(2E,4S)-2,4-dimethyldocos-2-enoyl]-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 (2E,4S)-2,4-dimethyldocos-2-enoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C52H96O16S
Net Charge 0
Average Mass 1009.37400
Monoisotopic Mass 1008.64191
InChI InChI=1S/C52H96O16S/c1-5-7-9-11-13-15-17-19-20-21-23-24-26-28-30-32-34-39(3)36-40(4)50(59)66-47-45(57)42(38-54)64-52(67-51-48(68-69(60,61)62)46(58)44(56)41(37-53)63-51)49(47)65-43(55)35-33-31-29-27-25-22-18-16-14-12-10-8-6-2/h36,39,41-42,44-49,51-54,56-58H,5-35,37-38H2,1-4H3,(H,60,61,62)/b40-36+/t39-,41+,42+,44+,45+,46-,47-,48+,49+,51+,52+/m0/s1
InChIKey ZJPQHHFYMMVDPZ-ZKGQKARYSA-N
SMILES CCCCCCCCCCCCCCCCCC[C@H](C)\C=C(/C)C(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OS(O)(=O)=O)[C@@H]1OC(=O)CCCCCCCCCCCCCCC
ChEBI Ontology
Outgoing 3-O-[(2E,4S)-2,4-dimethyldocos-2-enoyl]-2-O-palmitoyl-2'-O-sulfo-α,α-trehalose (CHEBI:62128) has functional parent α,α-trehalose (CHEBI:16551)
3-O-[(2E,4S)-2,4-dimethyldocos-2-enoyl]-2-O-palmitoyl-2'-O-sulfo-α,α-trehalose (CHEBI:62128) is a polyacyl α,α-trehalose derivative (CHEBI:62552)
3-O-[(2E,4S)-2,4-dimethyldocos-2-enoyl]-2-O-palmitoyl-2'-O-sulfo-α,α-trehalose (CHEBI:62128) is a sulfoglycolipid (CHEBI:26829)
IUPAC Name
3-O-[(2E,4S)-2,4-dimethyldocos-2-enoyl]-2-O-palmitoyl-α-D-glucopyranosyl 2-O-sulfo-α-D-glucopyranoside
Citation Waiting for Citations Type Source
19454700 PubMed citation Europe PMC
Last Modified
06 July 2011