CHEBI:71457 - actinidic acid

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ChEBI Name actinidic acid
ChEBI ID CHEBI:71457
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C30H46O5
Net Charge 0
Average Mass 486.68320
Monoisotopic Mass 486.33452
InChI InChI=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
InChIKey FFMVHFPLIIYYNC-QXIFDOFRSA-N
SMILES [H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)C(=C)CC[C@@]5(CC[C@@]34C)C(O)=O)[C@@]1(C)C[C@@H](O)[C@H](O)[C@@]2(C)CO
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): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Xref Database
HMDB0037963 HMDB
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Registry Number Type Source
8886569 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
11302196 PubMed citation Europe PMC
Last Modified
14 December 2012