CHEBI:132947 - methyl 8-(tetracyclo[6.4.0.02,7.03,6]dodec-10-yl)octanoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name methyl 8-(tetracyclo[6.4.0.02,7.03,6]dodec-10-yl)octanoate
ChEBI ID CHEBI:132947
ChEBI ASCII Name methyl 8-(tetracyclo[6.4.0.0(2,7).0(3,6)]dodec-10-yl)octanoate
Definition Methyl ester of 8-(tetracyclo[6.4.0.02,7.03,6]dodec-10-yl)octanoate, an octanoic acid, which is terminally substituted by [3]-ladderane, a structure consisting out of three fused butane rings and one fused hexane ring. Ladderane fatty acid methyl esters are core lipids of anammox bacteria.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter mbuss
Supplier Information
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Formula C21H34O2
Net Charge 0
Average Mass 318.494
Monoisotopic Mass 318.25588
InChI InChI=1S/C21H34O2/c1-23-19(22)8-6-4-2-3-5-7-14-9-10-17-18(13-14)21-16-12-11-15(16)20(17)21/h14-18,20-21H,2-13H2,1H3
InChIKey NAKOFRPBQMMAIB-UHFFFAOYSA-N
SMILES C1CC2C1C3C2C4C3CCC(C4)CCCCCCCC(OC)=O
ChEBI Ontology
Outgoing methyl 8-(tetracyclo[6.4.0.02,7.03,6]dodec-10-yl)octanoate (CHEBI:132947) has functional parent methyl octanoate (CHEBI:87432)
methyl 8-(tetracyclo[6.4.0.02,7.03,6]dodec-10-yl)octanoate (CHEBI:132947) is a fatty acid methyl ester (CHEBI:4986)
methyl 8-(tetracyclo[6.4.0.02,7.03,6]dodec-10-yl)octanoate (CHEBI:132947) is a ladderane (CHEBI:85034)
IUPAC Name
methyl 8-(tetracyclo[6.4.0.02,7.03,6]dodec-10-yl)octanoate
Synonym Source
C20-[3]-ladderane fatty acid methyl ester ChEBI
Last Modified
07 November 2016