3-[beta-D-glucopyranosyl-(1->6)-beta-D-galactopyranosyl]-1,2-dipalmitoyl-16,16,16-d3-sn-glycerol (CHEBI:140463)

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CHEBI:140463 - 3-[β-D-glucopyranosyl-(1→6)-β-D-galactopyranosyl]-1,2-dipalmitoyl-16,16,16-d₃-sn-glycerol

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ChEBI ID	CHEBI:140463
ChEBI Name	3-[β-D-glucopyranosyl-(1→6)-β-D-galactopyranosyl]-1,2-dipalmitoyl-16,16,16-d₃-sn-glycerol
Stars
ASCII Name	3-[beta-D-glucopyranosyl-(1->6)-beta-D-galactopyranosyl]-1,2-dipalmitoyl-16,16,16-d3-sn-glycerol
Definition	A deuterated compound that is 3-[β-D-glucopyranosyl-(1→6)-β-D-galactopyranosyl]-1,2-diacyl-sn-glycerol in which the acyl groups at O-1 and O-2 are both palmitoyl-16,16,16-d₃ ([16,16,16-²H₃]palmitoyl). A synthetic isotopically labelled acyl homologue of the β-glycolipid antigens (β-GGLs) of Mycoplasma pneumoniae.
Last Modified	2 April 2018
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C53H100O15
Net Charge	0
Average Mass	977.368
Monoisotopic Mass	976.70622
SMILES	CC(C)(C)CCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC(C)(C)C
InChI	InChI=1S/C47H88O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-38(49)57-32-35(60-39(50)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)33-58-46-45(56)43(54)41(52)37(62-46)34-59-47-44(55)42(53)40(51)36(31-48)61-47/h35-37,40-48,51-56H,3-34H2,1-2H3/t35-,36-,37-,40-,41+,42+,43+,44-,45-,46-,47-/m1/s1/i1D3,2D3
InChIKey	TUUXXJDESDKYDH-UYYAERBNSA-N

ChEBI Ontology

Outgoing Relation(s)
	3-[β-D-glucopyranosyl-(1→6)-β-D-galactopyranosyl]-1,2-dipalmitoyl-16,16,16-d₃-sn-glycerol (CHEBI:140463) is a 3-[β-D-glucopyranosyl-(1→6)-β-D-galactopyranosyl]-1,2-diacyl-sn-glycerol (CHEBI:137667)
	3-[β-D-glucopyranosyl-(1→6)-β-D-galactopyranosyl]-1,2-dipalmitoyl-16,16,16-d₃-sn-glycerol (CHEBI:140463) is a deuterated compound (CHEBI:76107)

IUPAC Name
(2S)-3-[(6-O-β-D-glucopyranosyl-β-D-galactopyranosyl)oxy]propane-1,2-diyl di[16,16,16-²H₃]hexadecanoate

Synonyms	Source
3-O-[β-D-Glcp-(1→6)-β-D-Galp]-1,2-di-O-[16,16,16-²H₃]palmitoyl-sn-glycerol	ChEBI
3-O-[β-D-glucopyranosyl-(1→6)-β-D-galactopyranosyl]-1,2-di-O-[16,16,16-²H₃]palmitoyl-sn-glycerol	ChEBI
3-[β-D-glucosyl-(1→6)-β-D-galactosyl]-1,2-di[16,16,16-²H₃]palmitoyl-sn-glycerol	ChEBI
3-O-[β-D-glucopyranosyl-(1"→6')-β-D-galactopyranosyl]-1,2-di-O-[16,16,16-²H₃]palmitoyl-sn-glycerol	ChEBI
βGGL-C16-d₃	ChEBI
3-[β-D-Glc-(1→6)-β-D-Gal]-1,2-di[16,16,16-²H₃]palmitoyl-sn-glycerol	ChEBI

Registry Numbers	Sources
Reaxys:32359280	Reaxys

Citations