2-O-palmitoyl-2'-O-sulfo-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethylhexadec-2-enoyl]-alpha,alpha-trehalose (CHEBI:167123)

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CHEBI:167123 - 2-O-palmitoyl-2'-O-sulfo-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethylhexadec-2-enoyl]-α,α-trehalose

Default Structure

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ChEBI ID	CHEBI:167123
ChEBI Name	2-O-palmitoyl-2'-O-sulfo-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethylhexadec-2-enoyl]-α,α-trehalose
Stars
ASCII Name	2-O-palmitoyl-2'-O-sulfo-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethylhexadec-2-enoyl]-alpha,alpha-trehalose
Definition	A sulfoglycolipid in which α,α-trehalose, sulfated at the 2'-position, is acylated at the 2-position with palmitoic acid, and at the 3-position with (2E,4S,6S,8S)-2,4,6,8-tetramethylhexadec-2-enoic acid.
Last Modified	15 December 2020
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C48H88O16S
Net Charge	0
Average Mass	953.283
Monoisotopic Mass	952.57931
SMILES	CCCCCCCCCCCCCCCC(=O)O[C@H]1[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OS(=O)(=O)O)O[C@H](CO)[C@@H](O)[C@@H]1OC(=O)/C(C)=C/[C@@H](C)C[C@@H](C)C[C@@H](C)CCCCCCCC
InChI	InChI=1S/C48H88O16S/c1-7-9-11-13-15-16-17-18-19-20-21-23-25-27-39(51)61-45-43(62-46(55)36(6)30-35(5)29-34(4)28-33(3)26-24-22-14-12-10-8-2)41(53)38(32-50)60-48(45)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
InChIKey	KLVFGBUKMFIBGL-YIJCZVJLSA-N

Roles Classification

Biological Role:

epitope The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.

ChEBI Ontology

Outgoing Relation(s)
	2-O-palmitoyl-2'-O-sulfo-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethylhexadec-2-enoyl]-α,α-trehalose (CHEBI:167123) has functional parent α,α-trehalose (CHEBI:16551)
	2-O-palmitoyl-2'-O-sulfo-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethylhexadec-2-enoyl]-α,α-trehalose (CHEBI:167123) has role epitope (CHEBI:53000)
	2-O-palmitoyl-2'-O-sulfo-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethylhexadec-2-enoyl]-α,α-trehalose (CHEBI:167123) is a hexadecanoate ester (CHEBI:25835)
	2-O-palmitoyl-2'-O-sulfo-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethylhexadec-2-enoyl]-α,α-trehalose (CHEBI:167123) 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-tetramethylhexadec-2-enoyl]-α,α-trehalose (CHEBI:167123) is a sulfoglycolipid (CHEBI:26829)

IUPAC Name
2-O-sulfo-α-D-glucopyranosyl 2-O-palmitoyl-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethylhexadec-2-enoyl]-α-D-glucopyranoside

Synonyms	Source
2-O-sulfo-α-D-glucosyl 2-O-palmitoyl-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethylhexadec-2-enoyl]-α-D-glucoside	ChEBI
SL38	ChEBI

Citations