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CHEBI:217761 - Neomastoidin A

ChEBI IDCHEBI:217761
ChEBI NameNeomastoidin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H45NO6
Net Charge0
Average Mass455.636
Monoisotopic Mass455.32469
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)[C@@H](N)COC
InChIInChI=1S/C25H45NO6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(28)31-20-22(19-27)32-25(29)23(26)21-30-2/h7-8,10-11,22-23,27H,3-6,9,12-21,26H2,1-2H3/b8-7-,11-10-/t22-,23-/m0/s1
InChIKeyHSJPSWHAHDWCEF-PJRCMRIWSA-N
Species of MetaboliteComponentSourceComments
Chlorophyllum neomastoideum (ncbitaxon:2172931) - DOI (10.1246/cl.2009.894)
ChEBI Ontology
Outgoing Relation(s)
Neomastoidin A (CHEBI:217761) is a lipid (CHEBI:18059)
IUPAC Name 
[(2S)-2-[(2S)-2-amino-3-methoxypropanoyl]oxy-3-hydroxypropyl] (9Z,12Z)-octadeca-9,12-dienoate
Manual XrefsDatabases
28286877ChemSpider