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CHEBI:191313 - Crasseride 2a

ChEBI IDCHEBI:191313
ChEBI NameCrasseride 2a
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H80O8
Net Charge0
Average Mass701.083
Monoisotopic Mass700.58532
SMILESCCCCCCC(C)CCCCCCCCCOC[C@@H](COC1C(O)[C@@H](O)[C@@H](O)C1O)OC(=O)CCCCCCCC(C)CCCCCC
InChIInChI=1S/C41H80O8/c1-5-7-9-19-25-33(3)27-21-15-12-11-13-18-24-30-47-31-35(32-48-41-39(45)37(43)38(44)40(41)46)49-36(42)29-23-17-14-16-22-28-34(4)26-20-10-8-6-2/h33-35,37-41,43-46H,5-32H2,1-4H3/t33?,34?,35-,37-,38+,39?,40?,41?/m0/s1
InChIKeyODUONVVMXIWFRQ-XYIPZQRASA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) hTERT-RPE1 cell (BTO:0004790) MetaboLights (MTBLS682)
ChEBI Ontology
Outgoing Relation(s)
Crasseride 2a (CHEBI:191313) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
[(2S)-1-(10-methylhexadecoxy)-3-[(3R,4S)-2,3,4,5-tetrahydroxycyclopentyl]oxypropan-2-yl] 9-methylpentadecanoate
Manual XrefsDatabases
LMGL00000123LIPID MAPS