CHEBI:17727 - phorbol 13-butanoate

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name phorbol 13-butanoate ChEBI ID CHEBI:17727 Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:14790, CHEBI:8119, CHEBI:26017 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C24H34O7 Net Charge 0 Average Mass 434.52256 Monoisotopic Mass 434.23045 InChI InChI=1S/C24H34O7/c1-6-7-17(26)31-24-18(21(24,4)5)15-9-14(11-25)10-22(29)16(8-12(2)19(22)27)23(15,30)13(3)20(24)28/h8-9,13,15-16,18,20,25,28-30H,6-7,10-11H2,1-5H3/t13-,15+,16-,18-,20-,22-,23-,24-/m1/s1 InChIKey FZXHDWWEDNRATG-JUDMOCROSA-N SMILES [H][C@@]12C=C(CO)C[C@]3(O)C(=O)C(C)=C[C@@]3([H])[C@@]1(O)[C@H](C)[C@@H](O)[C@]1(OC(=O)CCC)[C@@]2([H])C1(C)C ChEBI Ontology Outgoing phorbol 13-butanoate (CHEBI:17727) is a butyrate ester (CHEBI:50477) phorbol 13-butanoate (CHEBI:17727) is a phorbol ester (CHEBI:37532) phorbol 13-butanoate (CHEBI:17727) is a tertiary α-hydroxy ketone (CHEBI:139592) IUPAC Name (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b,9-trihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl butyrate Synonyms Sources Phorbol 13-butanoate KEGG COMPOUND phorbol 13-butanoate UniProt Manual Xref Database C03019 KEGG COMPOUND View more database links Last Modified 07 February 2018