CHEBI:165298 - Dichotellate B

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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 Dichotellate B
ChEBI ID CHEBI:165298
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H42O4
Net Charge 0
Average Mass 418.618
Monoisotopic Mass 418.30831
InChI InChI=1S/C26H42O4/c1-5-6-7-8-13-16-19-24(30-26(28)22-23(2)3)20-17-14-11-9-10-12-15-18-21-25(27)29-4/h10-14,16-17,20,23-24H,5-9,15,18-19,21-22H2,1-4H3/b12-10-,14-11-,16-13-,20-17+/t24-/m1/s1
InChIKey OKHPUUNJBPCHEJ-WFYRLPSZSA-N
SMILES O([C@H](C/C=C\CCCCC)/C=C/C=C\C/C=C\CCCC(OC)=O)C(=O)CC(C)C
ChEBI Ontology
Outgoing Dichotellate B (CHEBI:165298) is a carboxylic ester (CHEBI:33308)
IUPAC Name
methyl (5Z,8Z,10E,12R,14Z)-12-(3-methylbutanoyloxy)icosa-5,8,10,14-tetraenoate
Manual Xrefs Databases
27026260 ChemSpider
LMFA03000013 LIPID MAPS
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