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CHEBI:17862 - 3-dehydrosphinganine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-dehydrosphinganine
ChEBI ID CHEBI:17862
Definition A 2-amino-1-hydroxyoctadecan-3-one that has S-configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:11776, CHEBI:11783, CHEBI:19991, CHEBI:1489
Supplier Information
Save molfile Download Molfile
Formula C18H37NO2
Net Charge 0
Average Mass 299.49192
Monoisotopic Mass 299.282
InChI InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17,20H,2-16,19H2,1H3/t17-/m0/s1
InChIKey KBUNOSOGGAARKZ-KRWDZBQOSA-N
SMILES CCCCCCCCCCCCCCCC(=O)[C@@H](N)CO
Metabolite of Species Details
Mus musculus (NCBI:10090) Source: BioModels - MODEL1507180067 See: PubMed
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-dehydrosphinganine (CHEBI:17862) has functional parent sphinganine (CHEBI:16566)
3-dehydrosphinganine (CHEBI:17862) has role mouse metabolite (CHEBI:75771)
3-dehydrosphinganine (CHEBI:17862) is a 2-amino-1-hydroxyoctadecan-3-one (CHEBI:46966)
3-dehydrosphinganine (CHEBI:17862) is conjugate base of 3-dehydrosphinganinium(1+) (CHEBI:58299)
Incoming 1-deoxy-3-dehydrosphinganine (CHEBI:67176) has functional parent 3-dehydrosphinganine (CHEBI:17862)
1-deoxymethyl-3-dehydrosphinganine (CHEBI:67186) has functional parent 3-dehydrosphinganine (CHEBI:17862)
3-dehydrosphinganinium(1+) (CHEBI:58299) is conjugate acid of 3-dehydrosphinganine (CHEBI:17862)
IUPAC Name
(2S)-2-amino-1-hydroxyoctadecan-3-one
Synonyms Sources
3-Dehydro-D-sphinganine KEGG COMPOUND
3-dehydro-D-sphinganine ChEBI
3-Dehydrosphinganine KEGG COMPOUND
3-ketodihydrosphingosine ChEBI
3-ketosphinganine LIPID MAPS
Database Links Databases
C02934 KEGG COMPOUND
LMSP01020002 LIPID MAPS
View more database links
Registry Numbers Types Sources
6792651 Beilstein Registry Number Beilstein
6792651 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
4315749 PubMed citation Europe PMC
4362562 PubMed citation Europe PMC
Last Modified
27 January 2016