CHEBI:230425 - DG(20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)/16:0/0:0)

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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(20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)/16:0/0:0)
ChEBI ID CHEBI:230425
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C39H66O6
Net Charge 0
Average Mass 630.951
Monoisotopic Mass 630.48594
InChI InChI=1S/C39H66O6/c1-3-5-6-7-8-9-10-13-18-21-24-27-30-33-39(43)45-37(34-40)35-44-38(42)32-29-26-23-20-17-15-12-11-14-16-19-22-25-28-31-36(41)4-2/h12,14-16,20,22-23,25,28,31,36-37,40-41H,3-11,13,17-19,21,24,26-27,29-30,32-35H2,1-2H3/b15-12-,16-14-,23-20-,25-22-,31-28+/t36-,37-/m0/s1
InChIKey DPZGSHGGZLLXID-KJBYAACQSA-N
SMILES O(C(=O)CCCCCCCCCCCCCCC)[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C=C\[C@@H](O)CC)CO
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing DG(20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)/16:0/0:0) (CHEBI:230425) is a organic molecular entity (CHEBI:50860)
IUPAC Name
[(2S)-2-hexadecanoyloxy-3-hydroxypropyl] (5Z,8Z,11Z,14Z,16E,18S)-18-hydroxyicosa-5,8,11,14,16-pentaenoate
Manual Xrefs Databases
117214723 ChemSpider
HMDB0295520 HMDB
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