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CHEBI:66519 - halisphingosine A

ChEBI IDCHEBI:66519
ChEBI Namehalisphingosine A
Stars
DefinitionA sphingoid that is octadec-7-ene substituted by an amino group at position 2 and hydroxy groups at positions 1, 3 and 6 (the 2R,3R,6R,7Z stereoisomer). It is isolated from the marine sponge Haliclona.
Last Modified18 July 2013
DownloadsMolfile
FormulaC18H37NO3
Net Charge0
Average Mass315.498
Monoisotopic Mass315.27734
SMILESCCCCCCCCCC/C=C\[C@H](O)CC[C@@H](O)[C@H](N)CO
InChIInChI=1S/C18H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-16(21)13-14-18(22)17(19)15-20/h11-12,16-18,20-22H,2-10,13-15,19H2,1H3/b12-11-/t16-,17+,18+/m0/s1
InChIKeyQSBHSPFCUOHNKQ-AMZBRUSGSA-N
Species of MetaboliteComponentSourceComments
Haliclona (ncbitaxon:34490) - Article (NAT PROD SCI,2007,13,247)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
halisphingosine A (CHEBI:66519) has role metabolite (CHEBI:25212)
halisphingosine A (CHEBI:66519) is a amino alcohol (CHEBI:22478)
halisphingosine A (CHEBI:66519) is a sphingoid (CHEBI:35785)
IUPAC Name 
(2R,3R,6R,7Z)-2-aminooctadec-7-en-1,3,6-triol
Registry NumbersSources
Reaxys:23486647Reaxys
Citations