CHEBI:67176 - 1-deoxy-3-dehydrosphinganine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-deoxy-3-dehydrosphinganine
ChEBI ID CHEBI:67176
Definition A sphingoid consisting of 3-dehydrosphinganine in which the terminal hydroxy group is replaced by a hydrogen.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Alan Bridge
Supplier Information
Download Molfile XML SDF
Formula C18H37NO
Net Charge 0
Average Mass 283.49250
Monoisotopic Mass 283.28751
InChI InChI=1S/C18H37NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17(2)19/h17H,3-16,19H2,1-2H3/t17-/m0/s1
InChIKey HNOAUFBMSISHIO-KRWDZBQOSA-N
SMILES CCCCCCCCCCCCCCCC(=O)[C@H](C)N
ChEBI Ontology
Outgoing 1-deoxy-3-dehydrosphinganine (CHEBI:67176) has functional parent 3-dehydrosphinganine (CHEBI:17862)
1-deoxy-3-dehydrosphinganine (CHEBI:67176) is a sphingoid (CHEBI:35785)
1-deoxy-3-dehydrosphinganine (CHEBI:67176) is conjugate base of 1-deoxy-3-dehydrosphinganine(1+) (CHEBI:68828)
Incoming 1-deoxy-3-dehydrosphinganine(1+) (CHEBI:68828) is conjugate acid of 1-deoxy-3-dehydrosphinganine (CHEBI:67176)
IUPAC Name
(2S)-2-aminooctadecan-3-one
Synonyms Sources
(2S)-2-amino-3-octadecanone SUBMITTER
(2S)-2-aminooctadecan-3-one SUBMITTER
1-deoxy-3-dehydrosphinganine (0) UniProt
Last Modified
17 October 2012