CHEBI:187305 - Cer(d16:2(4E,6E)/22:1(13Z)(2OH))

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ChEBI Name Cer(d16:2(4E,6E)/22:1(13Z)(2OH))
ChEBI ID CHEBI:187305
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C38H71NO4
Net Charge 0
Average Mass 605.989
Monoisotopic Mass 605.53831
InChI InChI=1S/C38H71NO4/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-33-37(42)38(43)39-35(34-40)36(41)32-30-28-26-24-22-14-12-10-8-6-4-2/h16-17,26,28,30,32,35-37,40-42H,3-15,18-25,27,29,31,33-34H2,1-2H3,(H,39,43)/b17-16-,28-26+,32-30+/t35-,36+,37?/m0/s1
InChIKey NABQFRSEPFCNMQ-YETABHKWSA-N
SMILES OC(CCCCCCCCCC/C=C\CCCCCCCC)C(=O)N[C@H]([C@H](O)/C=C/C=C/CCCCCCCCC)CO
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 Cer(d16:2(4E,6E)/22:1(13Z)(2OH)) (CHEBI:187305) is a ceramide (CHEBI:17761)
IUPAC Name
(Z)-N-[(2S,3R,4E,6E)-1,3-dihydroxyhexadeca-4,6-dien-2-yl]-2-hydroxydocos-13-enamide
Manual Xrefs Databases
113381148 ChemSpider
LMSP02010092 LIPID MAPS
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