EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:192201 - DG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/0:0)

ChEBI IDCHEBI:192201
ChEBI NameDG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H62O5
Net Charge0
Average Mass586.898
Monoisotopic Mass586.45973
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCC
InChIInChI=1S/C37H62O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-35(33-38)34-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,22,24,35,38H,3-4,6,8-10,12,15,19-21,23,25-34H2,1-2H3/b7-5-,13-11-,16-14-,18-17-,24-22-/t35-/m0/s1
InChIKeyLQPOSGRNWNZNHI-ZVPBBHRDSA-N
Species of MetaboliteComponentSourceComments
Marine plankton environmental sample (ncbitaxon:632957) - MetaboLights (MTBLS4424) Found in endometabolome.
ChEBI Ontology
Outgoing Relation(s)
DG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/0:0) (CHEBI:192201) is a lipid (CHEBI:18059)
IUPAC Name 
[(2S)-1-[(Z)-hexadec-9-enoyl]oxy-3-hydroxypropan-2-yl] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
Manual XrefsDatabases
HMDB0007135HMDB
24765944ChemSpider