CHEBI:63080 - 1-O-(6-acetamido-6-deoxy-α-D-galactosyl)-N-[(15Z)-tetracos-15-enoyl]phytosphingosine

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ChEBI Name 1-O-(6-acetamido-6-deoxy-α-D-galactosyl)-N-[(15Z)-tetracos-15-enoyl]phytosphingosine ChEBI ID CHEBI:63080 ChEBI ASCII Name 1-O-(6-acetamido-6-deoxy-alpha-D-galactosyl)-N-[(15Z)-tetracos-15-enoyl]phytosphingosine Definition A glycophytoceramide that consists of phytosphingosine having a 6-acetamido-6-deoxy-α-D-galactosyl attached at the O-1 position via a glycosidic linkage and a (Z)-tetracos-15-enoyl 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 C50H96N2O9 Net Charge 0 Average Mass 869.30520 Monoisotopic Mass 868.71158 InChI InChI=1S/C50H96N2O9/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-45(55)52-42(40-60-50-49(59)48(58)47(57)44(61-50)39-51-41(3)53)46(56)43(54)37-35-33-31-29-27-17-15-13-11-9-7-5-2/h18-19,42-44,46-50,54,56-59H,4-17,20-40H2,1-3H3,(H,51,53)(H,52,55)/b19-18-/t42-,43+,44+,46-,47-,48-,49+,50-/m0/s1 InChIKey LIXVHWQNKBIZBR-ICAJWQFTSA-N SMILES CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO[C@H]1O[C@H](CNC(C)=O)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC Roles Classification Biological Role(s): ceramide allergen Any ceramide which causes the onset of an allergic reaction. 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-acetamido-6-deoxy-α-D-galactosyl)-N-[(15Z)-tetracos-15-enoyl]phytosphingosine (CHEBI:63080) has functional parent α-D-galactose (CHEBI:28061) 1-O-(6-acetamido-6-deoxy-α-D-galactosyl)-N-[(15Z)-tetracos-15-enoyl]phytosphingosine (CHEBI:63080) has role ceramide allergen (CHEBI:143252) 1-O-(6-acetamido-6-deoxy-α-D-galactosyl)-N-[(15Z)-tetracos-15-enoyl]phytosphingosine (CHEBI:63080) is a glycophytoceramide (CHEBI:59389) IUPAC Name (15Z)-N-{(2S,3S,4R)-1-[(6-acetamido-6-deoxy-α-D-galactopyranosyl)oxy]-3,4-dihydroxyoctadecan-2-yl}tetracos-15-enamide Synonyms Sources PBS-57 ChEBI PBS57 ChEBI Registry Number Type Source 15721779 Reaxys Registry Number Reaxys Citations Types Sources 16647712 PubMed citation Europe PMC 17237410 PubMed citation Europe PMC 18684920 PubMed citation Europe PMC 21155575 PubMed citation Europe PMC 21167756 PubMed citation Europe PMC Last Modified 12 March 2019