CHEBI:230361 - DG(13:0/20:5(6E,8Z,11Z,14Z,17Z)-OH(5)/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(13:0/20:5(6E,8Z,11Z,14Z,17Z)-OH(5)/0:0)
ChEBI ID CHEBI:230361
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C36H60O6
Net Charge 0
Average Mass 588.870
Monoisotopic Mass 588.43899
InChI InChI=1S/C36H60O6/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-27-33(38)28-26-30-36(40)42-34(31-37)32-41-35(39)29-25-23-21-19-14-12-10-8-6-4-2/h5,7,11,13,16-17,20,22,24,27,33-34,37-38H,3-4,6,8-10,12,14-15,18-19,21,23,25-26,28-32H2,1-2H3/b7-5-,13-11-,17-16-,22-20-,27-24+/t33?,34-/m0/s1
InChIKey VMWPUPZXTYJBRV-BOFINSKGSA-N
SMILES O(C(=O)CCCCCCCCCCCC)C[C@@H](OC(=O)CCCC(O)/C=C/C=C\C/C=C\C/C=C\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(13:0/20:5(6E,8Z,11Z,14Z,17Z)-OH(5)/0:0) (CHEBI:230361) is a organic molecular entity (CHEBI:50860)
IUPAC Name
[(2S)-1-hydroxy-3-tridecanoyloxypropan-2-yl] (6E,8Z,11Z,14Z,17Z)-5-hydroxyicosa-6,8,11,14,17-pentaenoate
Manual Xrefs Databases
117214156 ChemSpider
HMDB0294953 HMDB
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