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CHEBI:71052 - hexadecasphing-4-enine

Default Structure
ChEBI IDCHEBI:71052
ChEBI Namehexadecasphing-4-enine
Stars
DefinitionA sphingoid that is the C16 analogue of sphingosine.
Last Modified1 November 2017
SubmitterSteve
DownloadsMolfile
FormulaC16H33NO2
Net Charge0
Average Mass271.445
Monoisotopic Mass271.25113
SMILESCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)CO
InChIInChI=1S/C16H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)15(17)14-18/h12-13,15-16,18-19H,2-11,14,17H2,1H3/b13-12+/t15-,16+/m0/s1
InChIKeyBTUSGZZCQZACPT-YYZTVXDQSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS143)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
hexadecasphing-4-enine (CHEBI:71052) has role mouse metabolite (CHEBI:75771)
hexadecasphing-4-enine (CHEBI:71052) is a aminodiol (CHEBI:22501)
hexadecasphing-4-enine (CHEBI:71052) is a sphingoid (CHEBI:35785)
hexadecasphing-4-enine (CHEBI:71052) is conjugate base of hexadecasphing-4-enine(1+) (CHEBI:71011)
Incoming Relation(s)
N-(heptadecanoyl)hexadecasphingosine-1-phosphocholine (CHEBI:136272) has functional parent hexadecasphing-4-enine (CHEBI:71052)
N-(octadecanoyl)hexadecasphingosine-1-phosphocholine (CHEBI:136273) has functional parent hexadecasphing-4-enine (CHEBI:71052)
N-acylhexadecasphingosine (CHEBI:82884) has functional parent hexadecasphing-4-enine (CHEBI:71052)
N-acylhexadecasphingosine-1-phosphocholine (CHEBI:82896) has functional parent hexadecasphing-4-enine (CHEBI:71052)
N-acylhexadecasphingosine-1-phosphoethanolamine (CHEBI:83754) has functional parent hexadecasphing-4-enine (CHEBI:71052)
N-acylhexadecasphingosine-1-phosphoethanolamine zwitterion (CHEBI:82907) has functional parent hexadecasphing-4-enine (CHEBI:71052)
C16 phytosphingosine (CHEBI:76698) has functional parent hexadecasphing-4-enine (CHEBI:71052)
hexadecasphing-4-enine-1-phosphate (CHEBI:84505) has functional parent hexadecasphing-4-enine (CHEBI:71052)
hexadecasphinganine (CHEBI:71050) has functional parent hexadecasphing-4-enine (CHEBI:71052)
hexadecasphingosine-based sphingolipid (CHEBI:82819) has functional parent hexadecasphing-4-enine (CHEBI:71052)
β-D-galactosyl-(1↔1')-N-(docosanoyl)hexadecasphingosine (CHEBI:132453) has functional parent hexadecasphing-4-enine (CHEBI:71052)
β-D-glucosyl-(1↔1')-N-acylhexadecasphingosine (CHEBI:83186) has functional parent hexadecasphing-4-enine (CHEBI:71052)
hexadecasphing-4-enine(1+) (CHEBI:71011) is conjugate acid of hexadecasphing-4-enine (CHEBI:71052)
IUPAC Name 
(2S,3R,4E)-2-aminohexadec-4-ene-1,3-diol
Synonyms  Source
C16 sphingosineLIPID MAPS
hexadecasphingosineLIPID MAPS
Sphingosine d16:1ChEBI
Manual XrefsDatabases
LMSP01040008LIPID MAPS
Registry NumbersSources
Reaxys:6056281Reaxys