EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:181458 - Myriocin-12-en

ChEBI IDCHEBI:181458
ChEBI NameMyriocin-12-en
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H37NO6
Net Charge0
Average Mass399.528
Monoisotopic Mass399.26209
SMILESCCCCCCC(=O)/C=C/CCCC/C=C/C[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O
InChIInChI=1S/C21H37NO6/c1-2-3-4-10-13-17(24)14-11-8-6-5-7-9-12-15-18(25)19(26)21(22,16-23)20(27)28/h9,11-12,14,18-19,23,25-26H,2-8,10,13,15-16,22H2,1H3,(H,27,28)/b12-9+,14-11+/t18-,19+,21+/m1/s1
InChIKeyAHRPEPPVBKPDJQ-LEBSLOHFSA-N
ChEBI Ontology
Outgoing Relation(s)
Myriocin-12-en (CHEBI:181458) is a icosanoid (CHEBI:23899)
IUPAC Name 
(2S,3R,4R,6E,12E)-2-amino-3,4-dihydroxy-2-(hydroxymethyl)-14-oxoicosa-6,12-dienoic acid
Manual XrefsDatabases
34501327ChemSpider