CHEBI:178353 - DG(20:2n6/0:0/18:4n3)

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(20:2n6/0:0/18:4n3)
ChEBI ID CHEBI:178353
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C41H68O5
Net Charge 0
Average Mass 640.990
Monoisotopic Mass 640.50668
InChI InChI=1S/C41H68O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21,25,27,39,42H,3-5,7,9-10,15-16,20,22-24,26,28-38H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,21-18-,27-25-/t39-/m0/s1
InChIKey SITPDZFUQHCMGN-QOMNQLAJSA-N
SMILES O(C(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)C[C@@H](O)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
ChEBI Ontology
Outgoing DG(20:2n6/0:0/18:4n3) (CHEBI:178353) is a icosanoid (CHEBI:23899)
IUPAC Name
[(2R)-2-hydroxy-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropyl] (11Z,14Z)-icosa-11,14-dienoate
Manual Xrefs Databases
74854661 ChemSpider
HMDB0056316 HMDB
View more database links