CHEBI:76097 - 1-O-{6-O-[(4-chlorophenyl)carbamoyl]-α-D-galactopyranosyl}-N-hexacosanoylphytosphingosine

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ChEBI Name 1-O-{6-O-[(4-chlorophenyl)carbamoyl]-α-D-galactopyranosyl}-N-hexacosanoylphytosphingosine ChEBI ID CHEBI:76097 ChEBI ASCII Name 1-O-{6-O-[(4-chlorophenyl)carbamoyl]-alpha-D-galactopyranosyl}-N-hexacosanoylphytosphingosine Definition A glycophytoceramide having a 6-O-[(4-chlorophenyl)carbamoyl]-α-D-galactopyranosyl residue at the O-1 position and an hexacosanoyl group attached to the nitrogen. 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 C57H103ClN2O10 Net Charge 0 Average Mass 1011.88800 Monoisotopic Mass 1010.73013 InChI InChI=1S/C57H103ClN2O10/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-51(62)60-48(52(63)49(61)38-36-34-32-30-28-16-14-12-10-8-6-4-2)44-68-56-55(66)54(65)53(64)50(70-56)45-69-57(67)59-47-42-40-46(58)41-43-47/h40-43,48-50,52-56,61,63-66H,3-39,44-45H2,1-2H3,(H,59,67)(H,60,62)/t48-,49+,50+,52-,53-,54-,55+,56-/m0/s1 InChIKey MAGJZLBUXUBUBN-FNBNLLHXSA-N SMILES CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](COC(=O)Nc2ccc(Cl)cc2)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC Roles Classification Biological Role(s): mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). (via N-acylphytosphingosine ) View more via ChEBI Ontology ChEBI Ontology Outgoing 1-O-{6-O-[(4-chlorophenyl)carbamoyl]-α-D-galactopyranosyl}-N-hexacosanoylphytosphingosine (CHEBI:76097) is a glycophytoceramide (CHEBI:59389) IUPAC Name N-[(2S,3S,4R)-1-{6-O-[(4-chlorophenyl)carbamoyl]-α-D-galactopyranosyloxy}-3,4-dihydroxyoctadecan-2-yl]hexacosanamide Synonyms Sources 4ClPhC-α-GalCer ChEBI α-GalCer-6"-(4-chlorophenyl)carbamate ChEBI Manual Xref Database 1L9 PDBeChem View more database links Citation Type Source 23960235 PubMed citation Europe PMC Last Modified 28 October 2013