CHEBI:132929 - methyl 6-(pentacyclo[6.4.0.02,7.03,6.09,12]dodec-4-yl)hexanoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name methyl 6-(pentacyclo[6.4.0.02,7.03,6.09,12]dodec-4-yl)hexanoate
ChEBI ID CHEBI:132929
ChEBI ASCII Name methyl 6-(pentacyclo[6.4.0.0(2,7).0(3,6).0(9,12)]dodec-4-yl)hexanoate
Definition A fatty acid methyl ester consisting of methyl hexanoate, which is terminally substituted by five fused butane-rings ([5]-ladderane). 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 C19H28O2
Net Charge 0
Average Mass 288.425
Monoisotopic Mass 288.20893
InChI InChI=1S/C19H28O2/c1-21-14(20)6-4-2-3-5-10-9-13-15(10)19-17-12-8-7-11(12)16(17)18(13)19/h10-13,15-19H,2-9H2,1H3
InChIKey IGEXBKXEUAAQCD-UHFFFAOYSA-N
SMILES C1CC2C1C3C2C4C3C5C4C(C5)CCCCCC(OC)=O
ChEBI Ontology
Outgoing methyl 6-(pentacyclo[6.4.0.02,7.03,6.09,12]dodec-4-yl)hexanoate (CHEBI:132929) has functional parent methyl hexanoate (CHEBI:77322)
methyl 6-(pentacyclo[6.4.0.02,7.03,6.09,12]dodec-4-yl)hexanoate (CHEBI:132929) is a fatty acid methyl ester (CHEBI:4986)
methyl 6-(pentacyclo[6.4.0.02,7.03,6.09,12]dodec-4-yl)hexanoate (CHEBI:132929) is a ladderane (CHEBI:85034)
IUPAC Name
methyl 6-(pentacyclo[6.4.0.02,7.03,6.09,12]dodec-4-yl)hexanoate
Synonyms Sources
C18-[5]-ladderane fatty acid methyl ester ChEBI
C18[5]-FAME SUBMITTER
Manual Xref Database
102256095 PubChem
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Last Modified
07 November 2016