N-(docosanoyl)-1-(2',3',4',6'-tetraacetylbeta-D-galactosyl)-3-acetylsphingosine (CHEBI:136366)

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CHEBI:136366 - N-(docosanoyl)-1-(2',3',4',6'-tetraacetylβ-D-galactosyl)-3-acetylsphingosine

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ChEBI ID	CHEBI:136366
ChEBI Name	N-(docosanoyl)-1-(2',3',4',6'-tetraacetylβ-D-galactosyl)-3-acetylsphingosine
Stars
ASCII Name	N-(docosanoyl)-1-(2',3',4',6'-tetraacetylbeta-D-galactosyl)-3-acetylsphingosine
Definition	A glycosylceramide obtained by formal condensation of the carboxy group of docosanoic acid with the amino group of 1-(2',3',4',6'-tetraacetylβ-D-galactosyl)-3-acetylsphingosine.
Last Modified	18 January 2018
Submitter	mwilliams
Downloads	Molfile

Formula	C56H99NO13
Net Charge	0
Average Mass	994.402
Monoisotopic Mass	993.71164
SMILES	CCCCCCCCCCCCC/C=C/[C@@H](OC(C)=O)[C@H](CO[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)NC(=O)CCCCCCCCCCCCCCCCCCCCC
InChI	InChI=1S/C56H99NO13/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-41-52(63)57-49(50(66-45(4)59)40-38-36-34-32-30-28-21-19-17-15-13-11-9-2)42-65-56-55(69-48(7)62)54(68-47(6)61)53(67-46(5)60)51(70-56)43-64-44(3)58/h38,40,49-51,53-56H,8-37,39,41-43H2,1-7H3,(H,57,63)/b40-38+/t49-,50+,51+,53-,54-,55+,56+/m0/s1
InChIKey	BDPASYIZEHXBLJ-SLYLSTMUSA-N

Roles Classification

Biological Role:

human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans.

ChEBI Ontology

Outgoing Relation(s)
	N-(docosanoyl)-1-(2',3',4',6'-tetraacetylβ-D-galactosyl)-3-acetylsphingosine (CHEBI:136366) has functional parent docosanoic acid (CHEBI:28941)
	N-(docosanoyl)-1-(2',3',4',6'-tetraacetylβ-D-galactosyl)-3-acetylsphingosine (CHEBI:136366) has role human xenobiotic metabolite (CHEBI:76967)
	N-(docosanoyl)-1-(2',3',4',6'-tetraacetylβ-D-galactosyl)-3-acetylsphingosine (CHEBI:136366) is a cerebroside (CHEBI:23079)
	N-(docosanoyl)-1-(2',3',4',6'-tetraacetylβ-D-galactosyl)-3-acetylsphingosine (CHEBI:136366) is a galactolipid (CHEBI:5254)
	N-(docosanoyl)-1-(2',3',4',6'-tetraacetylβ-D-galactosyl)-3-acetylsphingosine (CHEBI:136366) is a glycosylceramide (CHEBI:62941)

IUPAC Name
(2S,3R,4E)-2-(docosanoylamino)-1-[(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)oxy]octadec-4-en-3-yl acetate

Synonyms	Source
2,3,4,6-β-tetraacetyl-D-galactosyl-N-(docosanoyl)-3-acetylsphing-4-enine	ChEBI
2,3,4,6-β-tetraacetyl-D-galactosyl-N-(docosanoyl)-3-acetylsphingosine	ChEBI
3-O-acetyl-sphingosine-2,3,4,6-tetra-O-acetyl-GalCer(d18:1/22:0)	LIPID MAPS
N-(docosanoyl)-1-(2',3',4',6'-tetraacetylβ-D-galactosyl)-3-acetylsphing-4-enine	ChEBI
FMC-5(d18:1/22:0)	LIPID MAPS
N-(docosanoyl)-1-beta-(2',3',4',6'-tetra-O-acetyl-galactosyl)-3-O-acetyl-sphing-4-enine	LIPID MAPS

Manual Xrefs	Databases
LMSP05010034	LIPID MAPS

Registry Numbers	Sources
Reaxys:11241148	Reaxys