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

Default Structure
ChEBI IDCHEBI:132947
ChEBI Namemethyl 8-(tetracyclo[6.4.0.02,7.03,6]dodec-10-yl)octanoate
Stars
ASCII Namemethyl 8-(tetracyclo[6.4.0.0(2,7).0(3,6)]dodec-10-yl)octanoate
DefinitionMethyl 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.
Last Modified7 November 2016
Submittermbuss
DownloadsMolfile
FormulaC21H34O2
Net Charge0
Average Mass318.501
Monoisotopic Mass318.25588
SMILESCOC(=O)CCCCCCCC1CCC2C(C1)C1C3CCC3C21
InChIInChI=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
InChIKeyNAKOFRPBQMMAIB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
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 esterChEBI