CHEBI:31994 - Phenyliodoundecynoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Phenyliodoundecynoate
ChEBI ID CHEBI:31994
Stars This entity has been manually annotated by a third party.
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Formulae C17H21IO2
C17H21IO2
Net Charge 0
Average Mass 384.253
Monoisotopic Mass 384.05862
InChI InChI=1S/C17H21IO2/c18-15-11-6-4-2-1-3-5-10-14-17(19)20-16-12-8-7-9-13-16/h7-9,12-13H,1-6,10,14H2
InChIKey YXYXRFVXKCHITA-UHFFFAOYSA-N
SMILES C=1C=C(C=CC1)OC(=O)CCCCCCCCC#CI
ChEBI Ontology
Outgoing Phenyliodoundecynoate (CHEBI:31994) is a benzoate ester (CHEBI:36054)
Phenyliodoundecynoate (CHEBI:31994) is a phenols (CHEBI:33853)
Synonyms Sources
11-Iodoundecynoic acid phenylester KEGG COMPOUND
Phenyliodoundecynoate KEGG COMPOUND
Manual Xref Database
D01595 KEGG DRUG
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Registry Number Type Source
2020-25-9 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017