CHEBI:66519 - halisphingosine A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name halisphingosine A
ChEBI ID CHEBI:66519
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C18H37NO3
Net Charge 0
Average Mass 315.49130
Monoisotopic Mass 315.27734
InChI InChI=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
InChIKey QSBHSPFCUOHNKQ-AMZBRUSGSA-N
SMILES CCCCCCCCCC\C=C/[C@H](O)CC[C@@H](O)[C@H](N)CO
Metabolite of Species Details
Haliclona (NCBI:txid34490) See: NAT PROD SCI,2007,13,247
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Number Type Source
23486647 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
23268569 PubMed citation Europe PMC
Last Modified
18 July 2013
General Comment
2012-07-27 NAT PROD SCI,2007,13,247