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

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 DG(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/12:0/0:0)
ChEBI ID CHEBI:230064
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C35H58O8
Net Charge 0
Average Mass 606.841
Monoisotopic Mass 606.41317
InChI InChI=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
InChIKey NYGAWUBEXVFWBJ-HESFTREUSA-N
SMILES O(C(=O)CCCCCCCCCCC)[C@H](COC(=O)CCC[C@H](O)[C@@H](O)/C=C\C=C/C=C/C=C/[C@H](O)C/C=C\CC)CO
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
117213957 ChemSpider
HMDB0294754 HMDB
View more database links