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CHEBI:71457 - actinidic acid

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:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
phytoalexin  A toxin made by a plant that acts against an organism attacking it.
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