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CHEBI:26743 - sphing-4-enine

Default Structure
ChEBI IDCHEBI:26743
ChEBI Namesphing-4-enine
Stars
DefinitionA sphingenine in which the C=C double bond is located at the 4-position.
Last Modified26 February 2018
DownloadsMolfile
FormulaC18H37NO2
Net Charge0
Average Mass299.499
Monoisotopic Mass299.28243
SMILES[H]C(CCCCCCCCCCCCC)=C([H])[C@@H](O)[C@@H](N)CO
InChIInChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/t17-,18+/m0/s1
InChIKeyWWUZIQQURGPMPG-ZWKOTPCHSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
sphing-4-enine (CHEBI:26743) is a 2-aminooctadec-4-ene-1,3-diol (CHEBI:46964)
sphing-4-enine (CHEBI:26743) is a sphingenine (CHEBI:26738)
sphing-4-enine (CHEBI:26743) is enantiomer of (2R,3S)-2-aminooctadec-4-ene-1,3-diol (CHEBI:46965)
Incoming Relation(s)
N-(hexanoyl)sphing-4-enine (CHEBI:63867) has functional parent sphing-4-enine (CHEBI:26743)
3-dehydrosphingosine (CHEBI:20096) has functional parent sphing-4-enine (CHEBI:26743)
inositol phosphosphingolipid (CHEBI:53021) has functional parent sphing-4-enine (CHEBI:26743)
psychosine (CHEBI:16874) has functional parent sphing-4-enine (CHEBI:26743)
α-psychosine (CHEBI:140280) has functional parent sphing-4-enine (CHEBI:26743)
cis-sphingosine (CHEBI:46962) is a sphing-4-enine (CHEBI:26743)
sphingosine (CHEBI:16393) is a sphing-4-enine (CHEBI:26743)
(2R,3S)-2-aminooctadec-4-ene-1,3-diol (CHEBI:46965) is enantiomer of sphing-4-enine (CHEBI:26743)
IUPAC Name 
(2S,3R)-2-aminooctadec-4-ene-1,3-diol
Synonyms  Source
4-sphingenineChEBI
sphing-4-enineIUPAC
Manual XrefsDatabases
LSM-5718LINCS
Registry NumbersSources
Beilstein:7794904Beilstein