N-octodecanoylsphinganine (CHEBI:67033)

CHEBI:67033 - N-octodecanoylsphinganine

ChEBI ID	CHEBI:67033
ChEBI Name	N-octodecanoylsphinganine
Stars
ASCII Name	N-octodecanoylsphinganine
Definition	A dihydroceramide in which the ceramide N-acyl group is specified as octadecanoyl (stearoyl).
Last Modified	23 October 2015
Submitter	Alan Bridge
Downloads	Molfile

Formula	C36H73NO3
Net Charge	0
Average Mass	567.984
Monoisotopic Mass	567.55905
SMILES	CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC
InChI	InChI=1S/C36H73NO3/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/h34-35,38-39H,3-33H2,1-2H3,(H,37,40)/t34-,35+/m0/s1
InChIKey	KZTJQXAANJHSCE-OIDHKYIRSA-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-octodecanoylsphinganine (CHEBI:67033) has functional parent octadecanoic acid (CHEBI:28842)
	N-octodecanoylsphinganine (CHEBI:67033) has role mouse metabolite (CHEBI:75771)
	N-octodecanoylsphinganine (CHEBI:67033) is a N-acylsphinganine (CHEBI:31488)
	N-octodecanoylsphinganine (CHEBI:67033) is a N-stearoyl-sphingoid base (CHEBI:144711)
Incoming Relation(s)
Incoming Relation(s)	Ins-1-P-Cer(d18:0/18:0)(1−) (CHEBI:72548) has functional parent N-octodecanoylsphinganine (CHEBI:67033)

IUPAC Name
N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]octadecanamide

Synonyms	Source
DHC-A 18:0/18:0	SUBMITTER
Cer(d18:0/18:0)	SUBMITTER
N-(octodecanoyl)-sphinganine	LIPID MAPS
N-stearoylsphinganine	ChEBI
N-octodecanoyldihydrosphingosine	ChEBI
N-octodecanoyldihydroceramide	ChEBI

UniProt Name	Source
N-(octadecanoyl)-sphinganine	UniProt

Manual Xrefs	Databases
LMSP02020008	LIPID MAPS
HMDB0011761	HMDB

Registry Numbers	Sources
Reaxys:1717325	Reaxys