CHEBI:69540 - (2S,3S,4R,9E)-1,3,4-trihydroxyl-2-[(2'R)-2'-hydroxytetracosanoylamino]-9-octadecene

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ChEBI Name (2S,3S,4R,9E)-1,3,4-trihydroxyl-2-[(2'R)-2'-hydroxytetracosanoylamino]-9-octadecene
ChEBI ID CHEBI:69540
Definition A natural product found in Rubia yunnanensis.
Stars This entity has been manually annotated by a third party.
Supplier Information No supplier information found for this compound.
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Formula C42H83NO5
Net Charge 0
Average Mass 682.11210
Monoisotopic Mass 681.62712
InChI InChI=1S/C42H83NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-40(46)42(48)43-38(37-44)41(47)39(45)35-33-31-29-27-25-16-14-12-10-8-6-4-2/h25,27,38-41,44-47H,3-24,26,28-37H2,1-2H3,(H,43,48)/b27-25+/t38-,39+,40+,41-/m0/s1
InChIKey NDAGVZHFRAVTBZ-VYECVMTFSA-N
SMILES CCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO)[C@H](O)[C@H](O)CCCC\C=C\CCCCCCCC
Metabolite of Species Details
Rubia yunnanensis (IPNI:765385-1) Found in root (BTO:0001188). Methanolic extract of air dried powdered roots. See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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 (2S,3S,4R,9E)-1,3,4-trihydroxyl-2-[(2'R)-2'-hydroxytetracosanoylamino]-9-octadecene (CHEBI:69540) has role metabolite (CHEBI:25212)
(2S,3S,4R,9E)-1,3,4-trihydroxyl-2-[(2'R)-2'-hydroxytetracosanoylamino]-9-octadecene (CHEBI:69540) is a N-acylphytosphingosine (CHEBI:31998)
Citation Type Source
21973054 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:fatty amide(CHEBI:29348); ISA:amino alcohol(CHEBI:22478); ISA:secondary alcohol(CHEBI:35681); ISA:carboxamide(CHEBI:37622); ISA:polyol(CHEBI:26191); ISA:organonitrogen compound(CHEBI:35352); ISA:carboxylic acid(CHEBI:33575); ISA:primary alcohol(CHEBI:15734); ISA:carbonyl compound(CHEBI:36586);