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CHEBI:71457 - actinidic acid

Default Structure
ChEBI IDCHEBI:71457
ChEBI Nameactinidic acid
Stars
DefinitionA pentacyclic triterpenoid that is ursa-12,20(30)-diene substituted by a carboxy group at position 28 and hydroxy groups at positions 2, 3 and 23. It is a phytoalexin isolated from the peel of unripe kiwi fruit Actinidia deliciosa.
Last Modified14 December 2012
Submitternamrata
DownloadsMolfile
FormulaC30H46O5
Net Charge0
Average Mass486.693
Monoisotopic Mass486.33452
SMILES[H][C@]12CC=C3[C@@](C)(CC[C@@]4(C(=O)O)CCC(=C)[C@H](C)[C@@]34[H])[C@]1(C)CC[C@]1([H])[C@]2(C)C[C@@H](O)[C@H](O)[C@@]1(C)CO
InChIInChI=1S/C30H46O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,18,20-24,31-33H,1,8-16H2,2-6H3,(H,34,35)/t18-,20+,21+,22+,23-,24-,26-,27-,28+,29+,30-/m0/s1
InChIKeyFFMVHFPLIIYYNC-QXIFDOFRSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
phytoalexin  A toxin made by a plant that acts against an organism attacking it.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
actinidic acid (CHEBI:71457) has parent hydride ursane (CHEBI:35711)
actinidic acid (CHEBI:71457) has role metabolite (CHEBI:25212)
actinidic acid (CHEBI:71457) has role phytoalexin (CHEBI:26115)
actinidic acid (CHEBI:71457) is a hydroxy monocarboxylic acid (CHEBI:35868)
actinidic acid (CHEBI:71457) is a pentacyclic triterpenoid (CHEBI:25872)
Incoming Relation(s)
3-O-trans-p-coumaroyl actinidic acid (CHEBI:65661) has functional parent actinidic acid (CHEBI:71457)
IUPAC Name 
(2α,3β)-2,3,23-trihydroxyursa-12,20(30)-dien-28-oic acid
Manual XrefsDatabases
HMDB0037963HMDB
Registry NumbersSources
Reaxys:8886569Reaxys
Citations