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CHEBI:230064 - DG(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/12:0/0:0)

ChEBI IDCHEBI:230064
ChEBI NameDG(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/12:0/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H58O8
Net Charge0
Average Mass606.841
Monoisotopic Mass606.41317
SMILESCC/C=C\C[C@@H](O)/C=C/C=C/C=C\C=C/[C@H](O)[C@@H](O)CCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCC
InChIInChI=1S/C35H58O8/c1-3-5-7-8-9-10-11-16-20-26-35(41)43-31(28-36)29-42-34(40)27-21-25-33(39)32(38)24-19-15-13-12-14-18-23-30(37)22-17-6-4-2/h6,12-15,17-19,23-24,30-33,36-39H,3-5,7-11,16,20-22,25-29H2,1-2H3/b14-12+,15-13-,17-6-,23-18+,24-19-/t30-,31+,32+,33+/m1/s1
InChIKeyNYGAWUBEXVFWBJ-HESFTREUSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
DG(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/12:0/0:0) (CHEBI:230064) is a icosanoid (CHEBI:23899)
IUPAC Name 
[(2S)-2-dodecanoyloxy-3-hydroxypropyl] (5S,6S,7Z,9Z,11E,13E,15R,17Z)-5,6,15-trihydroxyicosa-7,9,11,13,17-pentaenoate
Manual XrefsDatabases
117213957ChemSpider
HMDB0294754HMDB