2,3-dipalmitoyl-2'-sulfo-alpha,alpha-trehalose (CHEBI:62115)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:62115 - 2,3-dipalmitoyl-2'-sulfo-α,α-trehalose

Take structure to advanced search

ChEBI ID	CHEBI:62115
ChEBI Name	2,3-dipalmitoyl-2'-sulfo-α,α-trehalose
Stars
ASCII Name	2,3-dipalmitoyl-2'-sulfo-alpha,alpha-trehalose
Definition	A sulfoglycolipid in which α,α-trehalose, sulfated at the 2'-position, is diacylated at the 2- and 3-positions with palmitic acid.
Last Modified	27 March 2015
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C44H82O16S
Net Charge	0
Average Mass	899.191
Monoisotopic Mass	898.53236
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)CCCCCCCCCCCCCCC
InChI	InChI=1S/C44H82O16S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(47)57-40-38(50)34(32-46)56-44(59-43-41(60-61(52,53)54)39(51)37(49)33(31-45)55-43)42(40)58-36(48)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34,37-46,49-51H,3-32H2,1-2H3,(H,52,53,54)/t33-,34-,37-,38-,39+,40+,41-,42-,43-,44-/m1/s1
InChIKey	HSBOXJLYROSOFT-MWHATQTKSA-N

Species of Metabolite	Component	Source	Comments
Mycobacterium tuberculosis (ncbitaxon:1773)	-	PubMed (22194604)

Roles Classification

Biological Role:

bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria.

ChEBI Ontology

Outgoing Relation(s)
	2,3-dipalmitoyl-2'-sulfo-α,α-trehalose (CHEBI:62115) has functional parent α,α-trehalose (CHEBI:16551)
	2,3-dipalmitoyl-2'-sulfo-α,α-trehalose (CHEBI:62115) has role bacterial metabolite (CHEBI:76969)
	2,3-dipalmitoyl-2'-sulfo-α,α-trehalose (CHEBI:62115) is a sulfoglycolipid (CHEBI:26829)
	2,3-dipalmitoyl-2'-sulfo-α,α-trehalose (CHEBI:62115) is conjugate acid of 2',3'-dipalmitoyl-2-sulfo-α,α-trehalose(1−) (CHEBI:84353)
Incoming Relation(s)
Incoming Relation(s)	2',3'-dipalmitoyl-2-sulfo-α,α-trehalose(1−) (CHEBI:84353) is conjugate base of 2,3-dipalmitoyl-2'-sulfo-α,α-trehalose (CHEBI:62115)

IUPAC Name
2,3-di-O-palmitoyl-α-D-glucopyranosyl 2-O-sulfo-α-D-glucopyranoside

Synonym	Source
2,3-di-O-palmitoyl-2'-O-sulfo-α,α-trehalose	ChEBI

Citations