CHEBI:139113 - N-[(2S,3S,4R)-1-(α-D-galactosyloxy)-3,4-dihydroxy-16-phenylhexadecan-2-yl]octanamide

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ChEBI Name N-[(2S,3S,4R)-1-(α-D-galactosyloxy)-3,4-dihydroxy-16-phenylhexadecan-2-yl]octanamide ChEBI ID CHEBI:139113 ChEBI ASCII Name N-[(2S,3S,4R)-1-(alpha-D-galactosyloxy)-3,4-dihydroxy-16-phenylhexadecan-2-yl]octanamide Definition A synthetic sphingoid in which C16 phytosphingosine is substituted at O-1, C-16 and N with respectively an α-D-galactopyranosyl group, a phenyl group and an octanoyl group. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C36H63NO9 Net Charge 0 Average Mass 653.888 Monoisotopic Mass 653.45028 InChI InChI=1S/C36H63NO9/c1-2-3-4-11-19-24-31(40)37-28(26-45-36-35(44)34(43)33(42)30(25-38)46-36)32(41)29(39)23-18-13-10-8-6-5-7-9-12-15-20-27-21-16-14-17-22-27/h14,16-17,21-22,28-30,32-36,38-39,41-44H,2-13,15,18-20,23-26H2,1H3,(H,37,40)/t28-,29+,30+,32-,33-,34-,35+,36-/m0/s1 InChIKey YDGPBAWHWVHKQP-QNAIHFNASA-N SMILES [C@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)OC[C@@H]([C@@H]([C@@H](CCCCCCCCCCCCC=2C=CC=CC2)O)O)NC(CCCCCCC)=O ChEBI Ontology Outgoing N-[(2S,3S,4R)-1-(α-D-galactosyloxy)-3,4-dihydroxy-16-phenylhexadecan-2-yl]octanamide (CHEBI:139113) has functional parent C16 phytosphingosine (CHEBI:76698) N-[(2S,3S,4R)-1-(α-D-galactosyloxy)-3,4-dihydroxy-16-phenylhexadecan-2-yl]octanamide (CHEBI:139113) is a sphingoid (CHEBI:35785) IUPAC Name N-[(2S,3S,4R)-1-(α-D-galactopyranosyloxy)-3,4-dihydroxy-16-phenylhexadecan-2-yl]octanamide Synonym Source 1-O-α-D-galactopyranosyl-N-octanoyl-16-phenyl-(C16 phytosphingosine) Note: (2017-11-21) Name used in PMID:28655912. ChEBI Manual Xref Database 7LM PDBeChem View more database links Citation Type Source 28655912 PubMed citation Europe PMC Last Modified 21 November 2017