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CHEBI:230687 - lmgp06020080

Default Structure
ChEBI IDCHEBI:230687
ChEBI Namelmgp06020080
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H81O12P
Net Charge0
Average Mass821.083
Monoisotopic Mass820.54656
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C43H81O12P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-37(44)54-36(34-52-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)35-53-56(50,51)55-43-41(48)39(46)38(45)40(47)42(43)49/h11,13,17,19,36,38-43,45-49H,3-10,12,14-16,18,20-35H2,1-2H3,(H,50,51)/b13-11-,19-17-/t36-,38?,39-,40?,41?,42?,43?/m1/s1
InChIKeyGYGWMZYZPZBMRR-XVRIMEKRSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
lmgp06020080 (CHEBI:230687) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
[(2R)-1-hexadecoxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate
Manual XrefsDatabases
LMGP06020080LIPID MAPS