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CHEBI:168234 - Crucigasterin 277

ChEBI IDCHEBI:168234
ChEBI NameCrucigasterin 277
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H31NO
Net Charge0
Average Mass277.452
Monoisotopic Mass277.24056
SMILESCC/C=C\C/C=C\C/C=C\CC/C=C/C[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/h4-5,7-8,10-11,14-15,17-18,20H,3,6,9,12-13,16,19H2,1-2H3/b5-4-,8-7-,11-10-,15-14+/t17-,18+/m0/s1
InChIKeyPEVJDMWZXLRJSP-LFPPQAFFSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Crucigasterin 277 (CHEBI:168234) is a amino alcohol (CHEBI:22478)
IUPAC Name 
(2S,3R,5E,9Z,12Z,15Z)-2-aminooctadeca-5,9,12,15-tetraen-3-ol
Manual XrefsDatabases
24823227ChemSpider
LMSP01080036LIPID MAPS