CHEBI:180817 - N-[(4E,8E)-1,3-dihydroxyoctadec4,8-dien-2-yl]hexadecanamide

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ChEBI Name N-[(4E,8E)-1,3-dihydroxyoctadec4,8-dien-2-yl]hexadecanamide
ChEBI ID CHEBI:180817
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C34H65NO3
Net Charge 0
Average Mass 535.898
Monoisotopic Mass 535.49644
InChI InChI=1S/C34H65NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(37)32(31-36)35-34(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h19,21,27,29,32-33,36-37H,3-18,20,22-26,28,30-31H2,1-2H3,(H,35,38)/b21-19+,29-27+
InChIKey GMWIWVUTMCBDSP-ZNPGVSGMSA-N
SMILES O=C(NC(C(O)/C=C/CC\C=C\CCCCCCCCC)CO)CCCCCCCCCCCCCCC
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood serum (BTO:0000133).
ChEBI Ontology
Outgoing N-[(4E,8E)-1,3-dihydroxyoctadec4,8-dien-2-yl]hexadecanamide (CHEBI:180817) is a ceramide (CHEBI:17761)
IUPAC Name
N-[(4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]hexadecanamide
Manual Xref Database
4946535 ChemSpider
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Registry Number Type Source
124787-56-0 CAS Registry Number ChemIDplus