beta-D-galactosyl-(1<->1')-N-icosanoyl-(4E,14Z)-sphingadienine (CHEBI:132455)

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CHEBI:132455 - β-D-galactosyl-(1↔1')-N-icosanoyl-(4E,14Z)-sphingadienine

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ChEBI ID	CHEBI:132455
ChEBI Name	β-D-galactosyl-(1↔1')-N-icosanoyl-(4E,14Z)-sphingadienine
Stars
ASCII Name	beta-D-galactosyl-(1<->1')-N-icosanoyl-(4E,14Z)-sphingadienine
Definition	A galactosylceramide obtained by formal condensation of the carboxy group of icosanoic acid with the amino group of β-D-galactosyl-(1↔1')-(4E,14Z)-sphingadienine.
Last Modified	12 January 2017
Submitter	mwilliams
Downloads	Molfile

Formula	C44H83NO8
Net Charge	0
Average Mass	754.147
Monoisotopic Mass	753.61187
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)CCCCCCCCCCCCCCCCCCC
InChI	InChI=1S/C44H83NO8/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-40(48)45-37(36-52-44-43(51)42(50)41(49)39(35-46)53-44)38(47)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h8,10,31,33,37-39,41-44,46-47,49-51H,3-7,9,11-30,32,34-36H2,1-2H3,(H,45,48)/b10-8-,33-31+/t37-,38+,39+,41-,42-,43+,44+/m0/s1
InChIKey	JNYZDNIARSRXLF-OIBHHYQOSA-N

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

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-galactosyl-(1↔1')-N-icosanoyl-(4E,14Z)-sphingadienine (CHEBI:132455) has functional parent icosanoic acid (CHEBI:28822)
	β-D-galactosyl-(1↔1')-N-icosanoyl-(4E,14Z)-sphingadienine (CHEBI:132455) has functional parent sphinga-4E,14Z-dienine (CHEBI:73889)
	β-D-galactosyl-(1↔1')-N-icosanoyl-(4E,14Z)-sphingadienine (CHEBI:132455) has role marine metabolite (CHEBI:76507)
	β-D-galactosyl-(1↔1')-N-icosanoyl-(4E,14Z)-sphingadienine (CHEBI:132455) is a galactosylceramide (CHEBI:36498)

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

Synonyms	Source
N-(eicosanoyl)-1-β-galactosyl-4E,14Z-sphingadienine	LIPID MAPS
GalCer(d18:2/20:0)	LIPID MAPS
β-D-galactosyl-(1↔1')-N-eicosanoyl-(4E,14Z)-sphingadienine	ChEBI

Manual Xrefs	Databases
LMSP0501AC19	LIPID MAPS

Citations