CHEBI:168234 - Crucigasterin 277

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Crucigasterin 277
ChEBI ID CHEBI:168234
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H31NO
Net Charge 0
Average Mass 277.452
Monoisotopic Mass 277.24056
InChI InChI=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
InChIKey PEVJDMWZXLRJSP-LFPPQAFFSA-N
SMILES O[C@@H]([C@@H](N)C)C/C=C/CC/C=C\C/C=C\C/C=C\CC
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xrefs Databases
24823227 ChemSpider
LMSP01080036 LIPID MAPS
View more database links