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CHEBI:73892 - 1-deoxysphinga-6Z,9Z,12Z,15Z-tetraenine

ChEBI IDCHEBI:73892
ChEBI Name1-deoxysphinga-6Z,9Z,12Z,15Z-tetraenine
Stars
ASCII Name1-deoxysphinga-6Z,9Z,12Z,15Z-tetraenine
DefinitionA sphingoid that is 1-deoxysphinganine having cis-double bonds at positions 6, 9, 12, and 15.
Last Modified26 September 2013
Submittermwilliams
DownloadsMolfile
FormulaC18H31NO
Net Charge0
Average Mass277.452
Monoisotopic Mass277.24056
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CC[C@@H](O)[C@H](C)N
InChIInChI=1S/C18H31NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17(2)19/h4-5,7-8,10-11,13-14,17-18,20H,3,6,9,12,15-16,19H2,1-2H3/b5-4-,8-7-,11-10-,14-13-/t17-,18+/m0/s1
InChIKeyYNNQTVPKSXTDCK-SABUVIKOSA-N
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)
1-deoxysphinga-6Z,9Z,12Z,15Z-tetraenine (CHEBI:73892) has functional parent 1-deoxysphinganine (CHEBI:67106)
1-deoxysphinga-6Z,9Z,12Z,15Z-tetraenine (CHEBI:73892) has role metabolite (CHEBI:25212)
1-deoxysphinga-6Z,9Z,12Z,15Z-tetraenine (CHEBI:73892) is a amino alcohol (CHEBI:22478)
1-deoxysphinga-6Z,9Z,12Z,15Z-tetraenine (CHEBI:73892) is a sphingoid (CHEBI:35785)
IUPAC Name 
(2S,3R,6Z,9Z,12Z,15Z)-2-aminooctadeca-6,9,12,15-tetraen-3-ol
Synonym  Source
Obscuraminol ALIPID MAPS
Manual XrefsDatabases
LMSP01080035LIPID MAPS