alpha,alpha'-trehalose 6-mycolate (CHEBI:18234)

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CHEBI:18234 - α,α'-trehalose 6-mycolate

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ChEBI ID	CHEBI:18234
ChEBI Name	α,α'-trehalose 6-mycolate
Stars
ASCII Name	alpha,alpha'-trehalose 6-mycolate
Definition	A trehalose monomycolate comprising α,α'-trehalose having the mycolate group attached to the 6-position.
Secondary ChEBI IDs	CHEBI:10199, CHEBI:12283, CHEBI:22363
Last Modified	19 August 2015
Downloads	Molfile

Formula	C44H82O13
Net Charge	0
Average Mass	819.127
Monoisotopic Mass	818.57554
SMILES	CCCCCC/C=C/CCCCCCCC(O)C(CCCCCCCCCCCCCC)C(=O)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
InChI	InChI=1S/C44H82O13/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(46)32(28-26-24-22-20-18-16-14-12-10-8-6-4-2)42(53)54-31-35-37(48)39(50)41(52)44(56-35)57-43-40(51)38(49)36(47)34(30-45)55-43/h13,15,32-41,43-52H,3-12,14,16-31H2,1-2H3/b15-13+/t32?,33?,34-,35-,36-,37-,38+,39+,40-,41-,43-,44-/m1/s1
InChIKey	DIYJLQPZULMTGY-HNBCZZSGSA-N

ChEBI Ontology

Outgoing Relation(s)
	α,α'-trehalose 6-mycolate (CHEBI:18234) is a monoacyl α,α-trehalose (CHEBI:62546)
	α,α'-trehalose 6-mycolate (CHEBI:18234) is a trehalose monomycolate (CHEBI:60486)

IUPAC Name
6-O-[(11E)-3-hydroxy-2-tetradecyloctadec-11-enoyl]-α-D-glucopyranosyl α-D-glucopyranoside

Synonym	Source
alpha,alpha'-Trehalose 6-mycolate	KEGG COMPOUND

UniProt Name	Source
α,α'-trehalose 6-mycolate	UniProt

Manual Xrefs	Databases
C04218	KEGG COMPOUND
LMFA01160001	LIPID MAPS