CHEBI:89985 - 3-Methylheptane

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ChEBI Name 3-Methylheptane ChEBI ID CHEBI:89985 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C8H18 Net Charge 0 Average Mass 114.229 Monoisotopic Mass 114.14085 InChI InChI=1S/C8H18/c1-4-6-7-8(3)5-2/h8H,4-7H2,1-3H3 InChIKey LAIUFBWHERIJIH-UHFFFAOYSA-N SMILES CCCCC(C)CC Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in saliva (UBERON:0001836). See: PubMed Homo sapiens (NCBI:txid9606) Found in faeces (UBERON:0001988). See: PubMed ChEBI Ontology Outgoing 3-Methylheptane (CHEBI:89985) is a alkane (CHEBI:18310) Synonyms Sources 2-Ethylhexane HMDB 3-Methyl-(S)-Heptane HMDB 3-Methyl-Heptane HMDB 3-methylheptane HMDB Manual Xrefs Databases 3-Methylheptane Wikipedia HMDB0031583 HMDB View more database links Registry Number Type Source 589-81-1 CAS Registry Number KEGG COMPOUND Citations Types Sources 17314143 PubMed citation Europe PMC 24421258 PubMed citation Europe PMC