CHEBI:196724 - DG(18:3n6/0:0/20:3n6)

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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(18:3n6/0:0/20:3n6)
ChEBI ID CHEBI:196724
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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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/h11-14,17-19,21-22,24-25,27,39,42H,3-10,15-16,20,23,26,28-38H2,1-2H3/b13-11-,14-12-,19-17-,21-18-,24-22-,27-25-/t39-/m1/s1
InChIKey MVVITPWSJGYMDP-HHDPSTOSSA-N
SMILES O(C(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)C[C@H](O)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
ChEBI Ontology
Outgoing DG(18:3n6/0:0/20:3n6) (CHEBI:196724) is a icosanoid (CHEBI:23899)
IUPAC Name
[(2S)-2-hydroxy-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropyl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate
Manual Xrefs Databases
74854644 ChemSpider
HMDB0056298 HMDB
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