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CHEBI:196656 - DG(12:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)[iso2]

ChEBI IDCHEBI:196656
ChEBI NameDG(12:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)[iso2]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H60O5
Net Charge0
Average Mass584.882
Monoisotopic Mass584.44408
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCC
InChIInChI=1S/C37H60O5/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-30-32-37(40)42-35(33-38)34-41-36(39)31-29-27-25-23-12-10-8-6-4-2/h5,7,11,13,15-16,18-19,21-22,26,28,35,38H,3-4,6,8-10,12,14,17,20,23-25,27,29-34H2,1-2H3/b7-5-,13-11-,16-15-,19-18-,22-21-,28-26-/t35-/m0/s1
InChIKeyYMDAKYHPHHIDDO-QZXJYXSHSA-N
Roles Classification
Biological Roles:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
DG(12:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)[iso2] (CHEBI:196656) is a 1,2-diglyceride (CHEBI:49172)
IUPAC Name 
[(2S)-1-dodecanoyloxy-3-hydroxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
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