CHEBI:192181 - N-(2R-Hydroxyhexadecanoyl)-2S-amino-9-methyl-4E,8E-octadecadiene-1,3R-diol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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ChEBI Name N-(2R-Hydroxyhexadecanoyl)-2S-amino-9-methyl-4E,8E-octadecadiene-1,3R-diol
ChEBI ID CHEBI:192181
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+
InChIKey ZVEQCJWYRWKARO-YUEFSBGFSA-N
SMILES OC(CCCCCCCCCCCCCC)C(=O)NC(C(O)/C=C/CC\C=C(\CCCCCCCCC)/C)CO
Metabolite of Species Details
Marine plankton environmental sample (NCBI:txid632957) Found in endometabolome (MTBLS:000125). See: MetaboLights Study
ChEBI Ontology
Outgoing N-(2R-Hydroxyhexadecanoyl)-2S-amino-9-methyl-4E,8E-octadecadiene-1,3R-diol (CHEBI:192181) is a secondary alcohol (CHEBI:35681)
IUPAC Name
N-[(4E,8E)-1,3-dihydroxy-9-methyloctadeca-4,8-dien-2-yl]-2-hydroxyhexadecanamide
Manual Xrefs Databases
35014914 ChemSpider
HMDB0040132 HMDB
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