CHEBI:171689 - Ginsenoyne A linoleate

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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 Ginsenoyne A linoleate
ChEBI ID CHEBI:171689
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C35H52O3
Net Charge 0
Average Mass 520.798
Monoisotopic Mass 520.39165
InChI InChI=1S/C35H52O3/c1-4-7-9-11-12-13-14-15-16-17-18-19-20-22-27-31-35(36)37-32(6-3)28-24-23-26-30-34-33(38-34)29-25-21-10-8-5-2/h5-6,12-13,15-16,32-34H,2-4,7-11,14,17-22,25,27,29-31H2,1H3/b13-12+,16-15+
InChIKey BFPKTKVUPNVZLI-XUPYMNJSSA-N
SMILES O1C(C1CC#CC#CC(OC(=O)CCCCCCC/C=C/C\C=C\CCCCC)C=C)CCCCCC=C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in Pooled sample (NCIT:C45910). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing Ginsenoyne A linoleate (CHEBI:171689) is a polyunsaturated fatty ester (CHEBI:145039)
IUPAC Name
8-(3-hept-6-enyloxiran-2-yl)oct-1-en-4,6-diyn-3-yl (9E,12E)-octadeca-9,12-dienoate
Manual Xrefs Databases
35015127 ChemSpider
HMDB0041203 HMDB
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Last Modified
24 February 2022