beta-D-glucosyl-(1<->1')-N-docosanoyl-14-methylhexadecasphingosine (CHEBI:132779)

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CHEBI:132779 - β-D-glucosyl-(1↔1')-N-docosanoyl-14-methylhexadecasphingosine

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ChEBI ID	CHEBI:132779
ChEBI Name	β-D-glucosyl-(1↔1')-N-docosanoyl-14-methylhexadecasphingosine
Stars
ASCII Name	beta-D-glucosyl-(1<->1')-N-docosanoyl-14-methylhexadecasphingosine
Definition	A β-D-glucosylceramide in which a β-D-glucosyl residue attached to the primary hydroxyl group of N-docosanoyl-14-methylhexadecasphingosine. It is a metabolite of the nematode Caenorhabditis elegans.
Last Modified	21 July 2016
Submitter	Steve
Downloads	Molfile

Formula	C45H87NO8
Net Charge	0
Average Mass	770.190
Monoisotopic Mass	769.64317
SMILES	CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCC(C)CC
InChI	InChI=1S/C45H87NO8/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-28-31-34-41(49)46-38(36-53-45-44(52)43(51)42(50)40(35-47)54-45)39(48)33-30-27-24-22-21-23-26-29-32-37(3)5-2/h30,33,37-40,42-45,47-48,50-52H,4-29,31-32,34-36H2,1-3H3,(H,46,49)/b33-30+/t37?,38-,39+,40+,42+,43-,44+,45+/m0/s1
InChIKey	ISHCELWYNXDHHK-MLADXCSWSA-N

Species of Metabolite	Component	Source	Comments
Caenorhabditis elegans (ncbitaxon:6239)	-	PubMed (23894595)

Roles Classification

Biological Role:

Caenorhabditis elegans metabolite A nematode metabolite produced by Caenorhabditis elegans.

ChEBI Ontology

Outgoing Relation(s)
	β-D-glucosyl-(1↔1')-N-docosanoyl-14-methylhexadecasphingosine (CHEBI:132779) has functional parent 14-methylhexadecasphingosine (CHEBI:83988)
	β-D-glucosyl-(1↔1')-N-docosanoyl-14-methylhexadecasphingosine (CHEBI:132779) has functional parent docosanoic acid (CHEBI:28941)
	β-D-glucosyl-(1↔1')-N-docosanoyl-14-methylhexadecasphingosine (CHEBI:132779) has role Caenorhabditis elegans metabolite (CHEBI:78804)
	β-D-glucosyl-(1↔1')-N-docosanoyl-14-methylhexadecasphingosine (CHEBI:132779) is a β-D-glucosylceramide (CHEBI:83264)

IUPAC Name
N-[(2S,3R,4E)-1-(β-D-glucopyranosyloxy)-3-hydroxy-14-methylhexadec-4-en-2-yl]docosanamide

Synonyms	Source
GlcCer 39:1;3	ChEBI
GlcCer(d17:1;3/22:0)	ChEBI
HexCer 39:1;3	ChEBI
HexCer(d17:1;3/22:0)	ChEBI
β-D-glucosyl-(1↔1')-N-docosanoyl-14-methylhexadecasphing-4-enine	ChEBI

Registry Numbers	Sources
Reaxys:6948617	Reaxys

Citations