1-O-(alpha-D-galactopyranosyl)-N-(11-phenylundecanoyl)phytosphingosine (CHEBI:139167)

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CHEBI:139167 - 1-O-(α-D-galactopyranosyl)-N-(11-phenylundecanoyl)phytosphingosine

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ChEBI ID	CHEBI:139167
ChEBI Name	1-O-(α-D-galactopyranosyl)-N-(11-phenylundecanoyl)phytosphingosine
Stars
ASCII Name	1-O-(alpha-D-galactopyranosyl)-N-(11-phenylundecanoyl)phytosphingosine
Definition	A glycophytoceramide having an α-D-galactopyranosyl residue at the O-1 position and an 11-phenylundecanoyl group attached to the nitrogen.
Last Modified	30 November 2017
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C41H73NO9
Net Charge	0
Average Mass	724.033
Monoisotopic Mass	723.52853
SMILES	CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCc1ccccc1
InChI	InChI=1S/C41H73NO9/c1-2-3-4-5-6-7-8-9-10-14-17-23-28-34(44)37(46)33(31-50-41-40(49)39(48)38(47)35(30-43)51-41)42-36(45)29-24-18-15-12-11-13-16-20-25-32-26-21-19-22-27-32/h19,21-22,26-27,33-35,37-41,43-44,46-49H,2-18,20,23-25,28-31H2,1H3,(H,42,45)/t33-,34+,35+,37-,38-,39-,40+,41-/m0/s1
InChIKey	ZIILJLJQJDTYAX-IWVUWWQKSA-N

Roles Classification

Biological Role:

mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).

ChEBI Ontology

Outgoing Relation(s)
	1-O-(α-D-galactopyranosyl)-N-(11-phenylundecanoyl)phytosphingosine (CHEBI:139167) has functional parent α-D-galactose (CHEBI:28061)
	1-O-(α-D-galactopyranosyl)-N-(11-phenylundecanoyl)phytosphingosine (CHEBI:139167) is a glycophytoceramide (CHEBI:59389)

IUPAC Name
N-[(2S,3S,4R)-1-(α-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]-11-phenylundecanamide

Synonym	Source
N-{(1S,2S,3R)-1-[(α-D-galactopyranosyloxy)methyl]- 2,3-dihydroxyheptadecyl}-11-phenylundecanamide	IUPAC

Manual Xrefs	Databases
CA2683681	Patent
WO2007035717	Patent

Registry Numbers	Sources
Reaxys:10514065	Reaxys

Citations