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CHEBI:62137 - 2-O-octanoyl-2'-O-sulfo-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethyltetracos-2-enoyl]-α,α-trehalose

ChEBI IDCHEBI:62137
ChEBI Name2-O-octanoyl-2'-O-sulfo-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethyltetracos-2-enoyl]-α,α-trehalose
Stars
ASCII Name2-O-octanoyl-2'-O-sulfo-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethyltetracos-2-enoyl]-alpha,alpha-trehalose
DefinitionA sulfoglycolipid in which α,α-trehalose, sulfated at the 2'-position, is acylated at the 2-position with octanoic acid, and at the 3-position with (2E,4S,6S,8S)-2,4,6,8-tetramethylteracos-2-enoic acid.
Last Modified15 December 2020
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC48H88O16S
Net Charge0
Average Mass953.283
Monoisotopic Mass952.57931
SMILESCCCCCCCCCCCCCCCC[C@H](C)C[C@H](C)C[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)CCCCCCC
InChIInChI=1S/C48H88O16S/c1-7-9-11-13-14-15-16-17-18-19-20-21-23-24-26-33(3)28-34(4)29-35(5)30-36(6)46(55)62-43-41(53)38(32-50)60-48(45(43)61-39(51)27-25-22-12-10-8-2)63-47-44(64-65(56,57)58)42(54)40(52)37(31-49)59-47/h30,33-35,37-38,40-45,47-50,52-54H,7-29,31-32H2,1-6H3,(H,56,57,58)/b36-30+/t33-,34-,35-,37+,38+,40+,41+,42-,43-,44+,45+,47+,48+/m0/s1
InChIKeyUMSJDVXFKVPQCB-YIJCZVJLSA-N
ChEBI Ontology
Outgoing Relation(s)
2-O-octanoyl-2'-O-sulfo-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethyltetracos-2-enoyl]-α,α-trehalose (CHEBI:62137) has functional parent α,α-trehalose (CHEBI:16551)
2-O-octanoyl-2'-O-sulfo-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethyltetracos-2-enoyl]-α,α-trehalose (CHEBI:62137) is a octanoate ester (CHEBI:87657)
2-O-octanoyl-2'-O-sulfo-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethyltetracos-2-enoyl]-α,α-trehalose (CHEBI:62137) is a polyacyl α,α-trehalose derivative (CHEBI:62552)
2-O-octanoyl-2'-O-sulfo-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethyltetracos-2-enoyl]-α,α-trehalose (CHEBI:62137) is a sulfoglycolipid (CHEBI:26829)
Synonym  Source
2-O-octanoyl-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethyltetracos-2-enoyl]-α-D-glucopyranosyl 2-O-sulfo-α-D-glucopyranosideChEBI
Citations