N-[(9Z)-octadecenoyl]sphinganine (CHEBI:74100)

CHEBI:74100 - N-[(9Z)-octadecenoyl]sphinganine

ChEBI ID	CHEBI:74100
ChEBI Name	N-[(9Z)-octadecenoyl]sphinganine
Stars
ASCII Name	N-[(9Z)-octadecenoyl]sphinganine
Definition	A dihydroceramide in which the ceramide N-acyl group is specified as (9Z)-octadecenoyl (oleoyl).
Last Modified	2 February 2018
Submitter	laimo
Downloads	Molfile

Formula	C36H71NO3
Net Charge	0
Average Mass	565.968
Monoisotopic Mass	565.54340
SMILES	CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC
InChI	InChI=1S/C36H71NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,34-35,38-39H,3-16,19-33H2,1-2H3,(H,37,40)/b18-17-/t34-,35+/m0/s1
InChIKey	MJQIARGPQMNBGT-WWUCIAQXSA-N

Species of Metabolite	Component	Source	Comments
Mus musculus (ncbitaxon:10090)	-	MetaboLights (MTBLS143)

Roles Classification

mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).

human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).

mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).

ChEBI Ontology

Outgoing Relation(s)
	N-[(9Z)-octadecenoyl]sphinganine (CHEBI:74100) has functional parent oleic acid (CHEBI:16196)
	N-[(9Z)-octadecenoyl]sphinganine (CHEBI:74100) has role mouse metabolite (CHEBI:75771)
	N-[(9Z)-octadecenoyl]sphinganine (CHEBI:74100) is a Cer(d18:0/18:1) (CHEBI:136448)

IUPAC Name
(9Z)-N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]octadec-9-enamide

Synonyms	Source
C18:1DH Cer	LIPID MAPS
Cer(d18:0/18:1(9Z))	LIPID MAPS
N-[(9Z)-octadecenoyl]dihydrosphingosine	ChEBI
N-C_18:1 sphinganine	SUBMITTER
N-oleoyldihydrosphingosine	ChEBI
N-oleoylsphinganine	SUBMITTER

UniProt Name	Source
N-(9Z-octadecenoyl)-sphinganine	UniProt

Registry Numbers	Sources
Reaxys:1717533	Reaxys
CAS:34227-83-3	ChemIDplus