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CHEBI:62133 - 2-O-palmitoyl-2'-O-sulfo-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethyltetracos-2-enoyl]-α,α-trehalose

ChEBI IDCHEBI:62133
ChEBI Name2-O-palmitoyl-2'-O-sulfo-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethyltetracos-2-enoyl]-α,α-trehalose
Stars
ASCII Name2-O-palmitoyl-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 palmitic acid, and at the 3-position with (2E,4S,6S,8S)-2,4,6,8-tetramethyltetracos-2-enoic acid.
Last Modified6 July 2011
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC56H104O16S
Net Charge0
Average Mass1065.499
Monoisotopic Mass1064.70451
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)CCCCCCCCCCCCCCC
InChIInChI=1S/C56H104O16S/c1-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-41(3)36-42(4)37-43(5)38-44(6)54(63)70-51-49(61)46(40-58)68-56(71-55-52(72-73(64,65)66)50(62)48(60)45(39-57)67-55)53(51)69-47(59)35-33-31-29-27-25-22-20-18-16-14-12-10-8-2/h38,41-43,45-46,48-53,55-58,60-62H,7-37,39-40H2,1-6H3,(H,64,65,66)/b44-38+/t41-,42-,43-,45+,46+,48+,49+,50-,51-,52+,53+,55+,56+/m0/s1
InChIKeyNEVRXHPVRYSQOZ-ZZLYBKFXSA-N
ChEBI Ontology
Outgoing Relation(s)
2-O-palmitoyl-2'-O-sulfo-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethyltetracos-2-enoyl]-α,α-trehalose (CHEBI:62133) has functional parent α,α-trehalose (CHEBI:16551)
2-O-palmitoyl-2'-O-sulfo-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethyltetracos-2-enoyl]-α,α-trehalose (CHEBI:62133) is a polyacyl α,α-trehalose derivative (CHEBI:62552)
2-O-palmitoyl-2'-O-sulfo-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethyltetracos-2-enoyl]-α,α-trehalose (CHEBI:62133) is a sulfoglycolipid (CHEBI:26829)
IUPAC Name 
2-O-palmitoyl-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethyltetracos-2-enoyl]-α-D-glucopyranosyl 2-O-sulfo-α-D-glucopyranoside
Citations