CHEBI:217719 - (2S,2′R,3R,4E,8E)-N-2′-hydroxyhexadecanoyl-2-amino-9-methyl-4,8-octadecadiene-1,3-diol

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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 (2S,2′R,3R,4E,8E)-N-2′-hydroxyhexadecanoyl-2-amino-9-methyl-4,8-octadecadiene-1,3-diol
ChEBI ID CHEBI:217719
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C35H67NO4
Net Charge 0
Average Mass 565.924
Monoisotopic Mass 565.50701
InChI InChI=1S/C35H67NO4/c1-4-6-8-10-12-13-14-15-16-18-20-24-29-34(39)35(40)36-32(30-37)33(38)28-25-21-23-27-31(3)26-22-19-17-11-9-7-5-2/h25,27-28,32-34,37-39H,4-24,26,29-30H2,1-3H3,(H,36,40)/b28-25+,31-27+/t32-,33+,34+/m0/s1
InChIKey ZVEQCJWYRWKARO-IPGBNYNASA-N
SMILES O=C(N[C@H]([C@H](O)/C=C/CC/C=C(/CCCCCCCCC)\C)CO)[C@H](O)CCCCCCCCCCCCCC
Metabolite of Species Details
Sarcomyxa serotina (NCBI:txid40488) See: PubMed
ChEBI Ontology
Outgoing (2S,2′R,3R,4E,8E)-N-2′-hydroxyhexadecanoyl-2-amino-9-methyl-4,8-octadecadiene-1,3-diol (CHEBI:217719) is a ceramide (CHEBI:17761)
IUPAC Name
(2R)-N-[(2S,3R,4E,8E)-1,3-dihydroxy-9-methyloctadeca-4,8-dien-2-yl]-2-hydroxyhexadecanamide
Manual Xref Database
59696888 ChemSpider
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