CHEBI:45719 - (2R,3S,4Z)-2-aminooctadec-4-ene-1,3-diol

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ChEBI Name (2R,3S,4Z)-2-aminooctadec-4-ene-1,3-diol
ChEBI ID CHEBI:45719
ChEBI ASCII Name (2R,3S,4Z)-2-aminooctadec-4-ene-1,3-diol
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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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/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14-/t17-,18+/m1/s1
InChIKey WWUZIQQURGPMPG-BXDGKWANSA-N
SMILES CCCCCCCCCCCCC\C=C/[C@H](O)[C@H](N)CO
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing (2R,3S,4Z)-2-aminooctadec-4-ene-1,3-diol (CHEBI:45719) is a (2R,3S)-2-aminooctadec-4-ene-1,3-diol (CHEBI:46965)
(2R,3S,4Z)-2-aminooctadec-4-ene-1,3-diol (CHEBI:45719) is enantiomer of cis-sphingosine (CHEBI:46962)
Incoming cis-sphingosine (CHEBI:46962) is enantiomer of (2R,3S,4Z)-2-aminooctadec-4-ene-1,3-diol (CHEBI:45719)
IUPAC Name
(2R,3S,4Z)-2-aminooctadec-4-ene-1,3-diol
Synonym Source
SPHINGOSINE PDBeChem
Manual Xref Database
SPH PDBeChem
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Last Modified
16 May 2008