CHEBI:34862 - N-(30-(9Z,12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine

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ChEBI Name N-(30-(9Z,12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine
ChEBI ID CHEBI:34862
ChEBI ASCII Name N-(30-(9Z,12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine
Definition An N-acylsphingosine in which the ceramide N-acyl group is specified as 30-[(9Z,12Z)-octadeca-9,12-dienoyloxy]triacontanoyl.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C66H125NO5
Net Charge 0
Average Mass 1012.728
Monoisotopic Mass 1011.95578
InChI InChI=1S/C66H125NO5/c1-3-5-7-9-11-13-15-17-31-36-40-44-48-52-56-60-66(71)72-61-57-53-49-45-41-37-33-30-28-26-24-22-20-18-19-21-23-25-27-29-32-35-39-43-47-51-55-59-65(70)67-63(62-68)64(69)58-54-50-46-42-38-34-16-14-12-10-8-6-4-2/h11,13,17,31,54,58,63-64,68-69H,3-10,12,14-16,18-30,32-53,55-57,59-62H2,1-2H3,(H,67,70)/b13-11-,31-17-,58-54+/t63-,64+/m0/s1
InChIKey CJKGLEVYDCRGBX-FQYIUYQHSA-N
SMILES [C@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)(NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(CCCCCCC/C=C\C/C=C\CCCCC)=O)CO
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via N-acylsphingosine )
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ChEBI Ontology
Outgoing N-(30-(9Z,12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine (CHEBI:34862) is a ω-linoleoyloxy-O-ultra-long chain acylceramide (CHEBI:144785)
N-(30-(9Z,12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine (CHEBI:34862) is a N-(ω-linoleoyloxy-ultra-long chain fatty acyl)sphingosine (CHEBI:157662)
N-(30-(9Z,12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine (CHEBI:34862) is a N-acylsphingosine (CHEBI:52639)
IUPAC Name
30-{[(2S,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl]amino}-30-oxotriacontyl (9Z,12Z)-octadeca-9,12-dienoate
Synonyms Sources
ceramide eos ChemIDplus
N-(30-(9Z,12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine KEGG COMPOUND
N-[30-(9Z,12Z-octadecadienoyloxy)-triacontanoyl]-sphing-4-enine UniProt
N-[30-(9Z,12Z-octadecadienoyloxy)triacontanoyl]-4-sphingenine ChEBI
Manual Xrefs Databases
C13918 KEGG COMPOUND
CPD-22000 MetaCyc
LMSP02040001 LIPID MAPS
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Registry Number Type Source
156170-27-3 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
18427800 PubMed citation Europe PMC
20121267 PubMed citation Europe PMC
28610718 PubMed citation Europe PMC
Last Modified
11 September 2019