CHEBI:172804 - N-(2R-Hydroxyhexacosanoyl)-2S-amino-1,3S,4R-octadecanetriol

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ChEBI Name N-(2R-Hydroxyhexacosanoyl)-2S-amino-1,3S,4R-octadecanetriol
ChEBI ID CHEBI:172804
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C44H89NO5
Net Charge 0
Average Mass 712.198
Monoisotopic Mass 711.67407
InChI InChI=1S/C44H89NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-42(48)44(50)45-40(39-46)43(49)41(47)37-35-33-31-29-27-16-14-12-10-8-6-4-2/h40-43,46-49H,3-39H2,1-2H3,(H,45,50)
InChIKey XNLFLZXNXQVPII-UHFFFAOYSA-N
SMILES OC(C(O)C(NC(=O)C(O)CCCCCCCCCCCCCCCCCCCCCCCC)CO)CCCCCCCCCCCCCC
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via N-acylphytosphingosine )
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ChEBI Ontology
Outgoing N-(2R-Hydroxyhexacosanoyl)-2S-amino-1,3S,4R-octadecanetriol (CHEBI:172804) is a N-acylphytosphingosine (CHEBI:31998)
IUPAC Name
2-hydroxy-N-(1,3,4-trihydroxyoctadecan-2-yl)hexacosanamide
Manual Xrefs Databases
259815 ChemSpider
HMDB0035472 HMDB
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