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CHEBI:35061 - alpha-Semegma mycolic acid

ChEBI IDCHEBI:35061
ChEBI Namealpha-Semegma mycolic acid
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC77H150O3
Net Charge0
Average Mass1124.044
Monoisotopic Mass1123.15850
SMILESCCCCCCCCCCCCCCCCCC/C=C\CCCCCCCCCCCCC/C=C/CCCCCCCCCCCCCCCCCC(O)C(CCCCCCCCCCCCCCCCCCCCCC)C(=O)O
InChIInChI=1S/C77H150O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-48-49-50-51-52-53-54-56-58-60-62-64-66-68-70-72-74-76(78)75(77(79)80)73-71-69-67-65-63-61-59-57-55-24-22-20-18-16-14-12-10-8-6-4-2/h31-32,46-47,75-76,78H,3-30,33-45,48-74H2,1-2H3,(H,79,80)/b32-31-,47-46+
InChIKeyOTBHVUMGIGNBIY-FZQKJBIYSA-N
ChEBI Ontology
Outgoing Relation(s)
alpha-Semegma mycolic acid (CHEBI:35061) is a polymer (CHEBI:60027)
Synonym  Source
alpha-Semegma mycolic acidKEGG COMPOUND
Manual XrefsDatabases
C13842KEGG COMPOUND