CHEBI:145062 - probetaenone I

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name probetaenone I
ChEBI ID CHEBI:145062
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C21H36O2
Net Charge 0
Average Mass 320.517
Monoisotopic Mass 320.27153
InChI InChI=1S/C21H36O2/c1-7-14(3)19-16(5)12-17-11-13(2)10-15(4)20(17)21(19,6)18(23)8-9-22/h12-15,17,19-20,22H,7-11H2,1-6H3/t13-,14+,15+,17+,19-,20-,21-/m0/s1
InChIKey CWVNYXDUEQFYMM-YDGZXZOGSA-N
SMILES [C@]1([C@H](C(=C[C@@]2([C@@]1([C@@H](C[C@@H](C2)C)C)[H])[H])C)[C@@H](CC)C)(C(=O)CCO)C
ChEBI Ontology
Outgoing probetaenone I (CHEBI:145062) is a organic molecular entity (CHEBI:50860)
Synonym Source
probetaenone I UniProt
Citation Waiting for Citations Type Source
25530455 PubMed citation SUBMITTER