CHEBI:149661 - N-(13Z-docosenoyl)-sphinganine

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name N-(13Z-docosenoyl)-sphinganine
ChEBI ID CHEBI:149661
ChEBI ASCII Name N-(13Z-docosenoyl)-sphinganine
Stars This entity has been manually annotated by a third party.
Submitter Lucila Aimo
Supplier Information
Download Molfile XML SDF
Formula C40H79NO3
Net Charge 0
Average Mass 622.076
Monoisotopic Mass 621.60600
InChI InChI=1S/C40H79NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-40(44)41-38(37-42)39(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h17-18,38-39,42-43H,3-16,19-37H2,1-2H3,(H,41,44)/b18-17-/t38-,39+/m0/s1
InChIKey AOHMXFJFQLUIJL-RDUWXOKWSA-N
SMILES OC[C@@H]([C@@H](CCCCCCCCCCCCCCC)O)NC(CCCCCCCCCCC/C=C\CCCCCCCC)=O
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via N-acylsphinganine )
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via N-acylsphinganine )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing N-(13Z-docosenoyl)-sphinganine (CHEBI:149661) has functional parent erucate (CHEBI:32393)
N-(13Z-docosenoyl)-sphinganine (CHEBI:149661) is a N-acylsphinganine (CHEBI:31488)
Synonyms Sources
Cer(d18:0/22:1(13Z)) SUBMITTER
DHCer 22:1(13Z) SUBMITTER
N-(13Z-docosenoyl)-sphinganine UniProt
Citation Waiting for Citations Type Source
31916624 PubMed citation SUBMITTER