beta-D-glucosyl-(1<->1')-N-henicosanoyl-(4E,14Z)-sphingadienine (CHEBI:132458)

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CHEBI:132458 - β-D-glucosyl-(1↔1')-N-henicosanoyl-(4E,14Z)-sphingadienine

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ChEBI ID	CHEBI:132458
ChEBI Name	β-D-glucosyl-(1↔1')-N-henicosanoyl-(4E,14Z)-sphingadienine
Stars
ASCII Name	beta-D-glucosyl-(1<->1')-N-henicosanoyl-(4E,14Z)-sphingadienine
Definition	A β-D-glucosylceramide obtained by formal condensation of the carboxy group of henicosanoic acid with the amino group of β-D-glucosyl-(1↔1')-(4E,14Z)-sphingadienine.
Last Modified	13 January 2017
Submitter	mwilliams
Downloads	Molfile

Formula	C45H85NO8
Net Charge	0
Average Mass	768.174
Monoisotopic Mass	767.62752
SMILES	CCC/C=C\CCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCC
InChI	InChI=1S/C45H85NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-35-41(49)46-38(37-53-45-44(52)43(51)42(50)40(36-47)54-45)39(48)34-32-30-28-26-24-22-16-14-12-10-8-6-4-2/h8,10,32,34,38-40,42-45,47-48,50-52H,3-7,9,11-31,33,35-37H2,1-2H3,(H,46,49)/b10-8-,34-32+/t38-,39+,40+,42+,43-,44+,45+/m0/s1
InChIKey	HPXKQDNHZNVSHF-PXHKRALTSA-N

Species of Metabolite	Component	Source	Comments
Calanus helgolandicus (ncbitaxon:114068)
	-	MetaboLights (MTBLS91)
	-	PubMed (26364855)

Roles Classification

Biological Role:

marine metabolite Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.

ChEBI Ontology

Outgoing Relation(s)
	β-D-glucosyl-(1↔1')-N-henicosanoyl-(4E,14Z)-sphingadienine (CHEBI:132458) has functional parent henicosanoic acid (CHEBI:39248)
	β-D-glucosyl-(1↔1')-N-henicosanoyl-(4E,14Z)-sphingadienine (CHEBI:132458) has functional parent sphinga-4E,14Z-dienine (CHEBI:73889)
	β-D-glucosyl-(1↔1')-N-henicosanoyl-(4E,14Z)-sphingadienine (CHEBI:132458) has role marine metabolite (CHEBI:76507)
	β-D-glucosyl-(1↔1')-N-henicosanoyl-(4E,14Z)-sphingadienine (CHEBI:132458) is a β-D-glucosylceramide (CHEBI:83264)

IUPAC Name
N-[(2S,3R,4E,14Z)-1-(β-D-glucopyranosyloxy)-3-hydroxyoctadeca-4,14-dien-2-yl]henicosanamide

Synonyms	Source
GlcCer(d18:2/21:0)	LIPID MAPS
β-D-glucosyl-(1↔1')-N-heneicosanoyl-(4E,14Z)-sphingadienine	ChEBI
N-(heneicosanoyl)-1-β-galactosyl-4E,14Z-sphingadienine	LIPID MAPS

Manual Xrefs	Databases
LMSP0501AA36	LIPID MAPS

Citations