CHEBI:67591 - zizyberanalic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name zizyberanalic acid
Definition A steroid acid isolated from the roots of Breynia fruticosa.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C30H46O4
Net Charge 0
Average Mass 470.68380
Monoisotopic Mass 470.33961
InChI InChI=1S/C30H46O4/c1-17(2)18-10-13-30(25(33)34)15-14-27(5)19(23(18)30)8-9-22-28(27,6)12-11-21-26(3,4)24(32)20(16-31)29(21,22)7/h16,18-24,32H,1,8-15H2,2-7H3,(H,33,34)/t18-,19+,20+,21-,22-,23+,24+,27+,28+,29-,30-/m0/s1
SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)[C@H](C=O)[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
Metabolite of Species Details
Breynia fruticosa (NCBI:txid296042) Found in root (BTO:0001188). 90% Methanolic extract of air-dried, crushed roots. See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing zizyberanalic acid (CHEBI:67591) has role plant metabolite (CHEBI:76924)
zizyberanalic acid (CHEBI:67591) is a 3α-hydroxy steroid (CHEBI:36835)
zizyberanalic acid (CHEBI:67591) is a hydroxy monocarboxylic acid (CHEBI:35868)
zizyberanalic acid (CHEBI:67591) is a steroid acid (CHEBI:47891)
zizyberanalic acid (CHEBI:67591) is a steroid aldehyde (CHEBI:131565)
(1R,3aS,5aR,5bR,7aR,9R,10S,10aR,10bR,12aR,12bR)-10-formyl-9-hydroxy-5a,5b,8,8,10a-pentamethyl-1-(prop-1-en-2-yl)octadecahydrodicyclopenta[a,i]phenanthrene-3a(1H)-carboxylic acid
Synonym Source
Colubrinic acid HMDB
Manual Xref Database
HMDB0036847 HMDB
View more database links
Registry Number Type Source
6988830 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21428418 PubMed citation Europe PMC
Last Modified
17 March 2016