CHEBI:186452 - 1-O-cerotoyl-Cer(d18:1/18:0)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 1-O-cerotoyl-Cer(d18:1/18:0)
ChEBI ID CHEBI:186452
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C62H121NO4
Net Charge 0
Average Mass 944.653
Monoisotopic Mass 943.92956
InChI InChI=1S/C62H121NO4/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-33-34-36-39-42-45-48-51-54-57-62(66)67-58-59(60(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)63-61(65)56-53-50-47-44-41-38-35-26-23-20-17-14-11-8-5-2/h52,55,59-60,64H,4-51,53-54,56-58H2,1-3H3,(H,63,65)/b55-52+/t59-,60+/m0/s1
InChIKey ATNDGCIAZHEVAS-BSMXZJJGSA-N
SMILES O(C[C@H](NC(=O)CCCCCCCCCCCCCCCCC)[C@H](O)/C=C/CCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCCCCCCCCCCCCCC
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing 1-O-cerotoyl-Cer(d18:1/18:0) (CHEBI:186452) is a fatty acid ester (CHEBI:35748)
IUPAC Name
[(E,2S,3R)-3-hydroxy-2-(octadecanoylamino)octadec-4-enyl] hexacosanoate
Manual Xrefs Databases
113381347 ChemSpider
LMSP02040017 LIPID MAPS
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