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CHEBI:230423 - DG(14:0/TXB2/0:0)

Default Structure
ChEBI IDCHEBI:230423
ChEBI NameDG(14:0/TXB2/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H66O9
Net Charge0
Average Mass654.926
Monoisotopic Mass654.47068
SMILESCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C[C@H]1[C@@H](O)CC(O)O[C@@H]1/C=C/[C@@H](O)CCCCC
InChIInChI=1S/C37H66O9/c1-3-5-7-8-9-10-11-12-13-14-19-23-35(41)44-29-31(28-38)45-36(42)24-20-16-15-18-22-32-33(40)27-37(43)46-34(32)26-25-30(39)21-17-6-4-2/h15,18,25-26,30-34,37-40,43H,3-14,16-17,19-24,27-29H2,1-2H3/b18-15-,26-25+/t30-,31-,32-,33-,34+,37?/m0/s1
InChIKeyVUJOAPRROPOUSG-UEICKRKBSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
DG(14:0/TXB2/0:0) (CHEBI:230423) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
[(2S)-2-[(Z)-7-[(2R,3S,4S)-4,6-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]oxan-3-yl]hept-5-enoyl]oxy-3-hydroxypropyl] tetradecanoate
Manual XrefsDatabases
117214308ChemSpider
HMDB0295105HMDB