N-docosanoylsphinganine (CHEBI:67021)

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CHEBI:67021 - N-docosanoylsphinganine

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ChEBI ID	CHEBI:67021
ChEBI Name	N-docosanoylsphinganine
Stars
ASCII Name	N-docosanoylsphinganine
Definition	A dihydroceramide in which the ceramide N-acyl group is specified as docosanoyl (behenoyl).
Last Modified	23 October 2015
Submitter	Alan Bridge
Downloads	Molfile

Formula	C40H81NO3
Net Charge	0
Average Mass	624.092
Monoisotopic Mass	623.62165
SMILES	CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC
InChI	InChI=1S/C40H81NO3/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/h38-39,42-43H,3-37H2,1-2H3,(H,41,44)/t38-,39+/m0/s1
InChIKey	SXPRAKSDHOEHIG-ZESVVUHVSA-N

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

Roles Classification

Biological Roles:

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

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).

ChEBI Ontology

Outgoing Relation(s)
	N-docosanoylsphinganine (CHEBI:67021) has functional parent docosanoic acid (CHEBI:28941)
	N-docosanoylsphinganine (CHEBI:67021) has role mouse metabolite (CHEBI:75771)
	N-docosanoylsphinganine (CHEBI:67021) is a N-acylsphinganine (CHEBI:31488)
Incoming Relation(s)
	Ins-1-P-Cer(d18:0/22:0)(1−) (CHEBI:72550) has functional parent N-docosanoylsphinganine (CHEBI:67021)

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

Synonyms	Source
C22DH Cer	LIPID MAPS
Cer(d18:0/22:0)	SUBMITTER
DHC-A 18:0/22:0	SUBMITTER
N-behenoyldihydroceramide	ChEBI
N-behenoyldihydrosphingosine	ChEBI
N-behenoylsphinganine	ChEBI

UniProt Name	Source
N-docosanoylsphinganine	UniProt

Manual Xrefs	Databases
HMDB0011765	HMDB
LMSP02020010	LIPID MAPS

Registry Numbers	Sources
Reaxys:11734127	Reaxys