CHEBI:230267 - Cer(d18:2(4E,14Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

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ChEBI Name Cer(d18:2(4E,14Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))
ChEBI ID CHEBI:230267
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C38H63NO6
Net Charge 0
Average Mass 629.923
Monoisotopic Mass 629.46554
InChI InChI=1S/C38H63NO6/c1-3-5-7-8-9-10-11-12-13-14-15-19-23-28-35(42)34(32-40)39-38(45)31-25-30-37(44)36(43)29-24-20-17-16-18-22-27-33(41)26-21-6-4-2/h6-8,16-18,20-24,27-29,33-37,40-44H,3-5,9-15,19,25-26,30-32H2,1-2H3,(H,39,45)/b8-7-,18-16+,20-17-,21-6-,27-22+,28-23+,29-24-/t33-,34-,35+,36+,37+/m0/s1
InChIKey PVKDTOJTOMGRGB-ZMICUKDJSA-N
SMILES O[C@@H]([C@@H](NC(=O)CCC[C@@H](O)[C@H](O)/C=C\C=C/C=C/C=C/[C@@H](O)C/C=C\CC)CO)\C=C\CCCCCCCC/C=C\CCC
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing Cer(d18:2(4E,14Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) (CHEBI:230267) is a secondary alcohol (CHEBI:35681)
IUPAC Name
(5R,6R,7Z,9Z,11E,13E,15S,17Z)-N-[(2S,3R,4E,14Z)-1,3-dihydroxyoctadeca-4,14-dien-2-yl]-5,6,15-trihydroxyicosa-7,9,11,13,17-pentaenamide
Manual Xref Database
HMDB0290080 HMDB
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