1-O-(alpha-D-galactopyranosyl)-N-(9-phenylnonanoyl)phytosphingosine (CHEBI:139142)

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CHEBI:139142 - 1-O-(α-D-galactopyranosyl)-N-(9-phenylnonanoyl)phytosphingosine

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ChEBI ID	CHEBI:139142
ChEBI Name	1-O-(α-D-galactopyranosyl)-N-(9-phenylnonanoyl)phytosphingosine
Stars
ASCII Name	1-O-(alpha-D-galactopyranosyl)-N-(9-phenylnonanoyl)phytosphingosine
Definition	A glycophytoceramide having an α-D-galactopyranosyl residue at the O-1 position and a 9-phenylnonanoyl group attached to the nitrogen.
Last Modified	30 November 2017
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C39H69NO9
Net Charge	0
Average Mass	695.979
Monoisotopic Mass	695.49723
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)CCCCCCCCc1ccccc1
InChI	InChI=1S/C39H69NO9/c1-2-3-4-5-6-7-8-9-10-11-15-21-26-32(42)35(44)31(29-48-39-38(47)37(46)36(45)33(28-41)49-39)40-34(43)27-22-16-13-12-14-18-23-30-24-19-17-20-25-30/h17,19-20,24-25,31-33,35-39,41-42,44-47H,2-16,18,21-23,26-29H2,1H3,(H,40,43)/t31-,32+,33+,35-,36-,37-,38+,39-/m0/s1
InChIKey	KNEAHURFYMBXKR-CLTBVUQJSA-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-(9-phenylnonanoyl)phytosphingosine (CHEBI:139142) has functional parent α-D-galactose (CHEBI:28061)
	1-O-(α-D-galactopyranosyl)-N-(9-phenylnonanoyl)phytosphingosine (CHEBI:139142) is a glycophytoceramide (CHEBI:59389)

IUPAC Name
N-[(2S,3S,4R)-1-(α-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]-9-phenylnonanamide

Synonym	Source
N-{(1S,2S,3R)-1-[(α-D-galactopyranosyloxy)methyl]- 2,3-dihydroxyheptadecyl}-9-phenylnonanamide	IUPAC

Manual Xrefs	Databases
US2009233875	Patent
US2009117089	Patent
WO2008128062	Patent

Registry Numbers	Sources
Reaxys:15490747	Reaxys

Citations