CHEBI:230215 - Cer(d17:1/20:4(6E,8Z,11Z,13E)-2OH(5S,15S))

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ChEBI Name Cer(d17:1/20:4(6E,8Z,11Z,13E)-2OH(5S,15S))
ChEBI ID CHEBI:230215
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C37H65NO5
Net Charge 0
Average Mass 603.929
Monoisotopic Mass 603.48627
InChI InChI=1S/C37H65NO5/c1-3-5-7-8-9-10-11-12-13-17-20-24-30-36(42)35(32-39)38-37(43)31-25-29-34(41)28-23-19-16-14-15-18-22-27-33(40)26-21-6-4-2/h15-16,18-19,22-24,27-28,30,33-36,39-42H,3-14,17,20-21,25-26,29,31-32H2,1-2H3,(H,38,43)/b18-15-,19-16-,27-22+,28-23+,30-24+/t33-,34-,35+,36-/m1/s1
InChIKey DBEOEIQNVQSYNY-NYYFCTAYSA-N
SMILES O[C@@H]([C@@H](NC(=O)CCC[C@H](O)/C=C/C=C\C/C=C\C=C\[C@H](O)CCCCC)CO)\C=C\CCCCCCCCCCCC
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing Cer(d17:1/20:4(6E,8Z,11Z,13E)-2OH(5S,15S)) (CHEBI:230215) is a secondary alcohol (CHEBI:35681)
IUPAC Name
(5S,6E,8Z,11Z,13E,15R)-N-[(E,2S,3R)-1,3-dihydroxyheptadec-4-en-2-yl]-5,15-dihydroxyicosa-6,8,11,13-tetraenamide
Manual Xref Database
HMDB0289925 HMDB
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