CHEBI:70803 - acacic acid

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ChEBI Name acacic acid
ChEBI ID CHEBI:70803
Definition A pentacyclic triterpenoid that is olean-12-ene substituted by carboxy group at position 28 and hydroxy groups at positions 3, 16 and 21 (the 3β,16α,21β stereoisomer).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C30H48O5
Net Charge 0
Average Mass 488.69910
Monoisotopic Mass 488.350
InChI InChI=1S/C30H48O5/c1-25(2)14-18-17-8-9-20-27(5)12-11-21(31)26(3,4)19(27)10-13-28(20,6)29(17,7)15-23(33)30(18,24(34)35)16-22(25)32/h8,18-23,31-33H,9-16H2,1-7H3,(H,34,35)/t18-,19-,20+,21-,22-,23+,27-,28+,29+,30+/m0/s1
InChIKey CFKXWTNHIJAFNL-OOURDANISA-N
SMILES [H][C@@]12CC(C)(C)[C@@H](O)C[C@@]1([C@H](O)C[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing acacic acid (CHEBI:70803) has parent hydride oleanane (CHEBI:36481)
acacic acid (CHEBI:70803) has role metabolite (CHEBI:25212)
acacic acid (CHEBI:70803) is a hydroxy monocarboxylic acid (CHEBI:35868)
acacic acid (CHEBI:70803) is a pentacyclic triterpenoid (CHEBI:25872)
Incoming albizoside A (CHEBI:65379) has functional parent acacic acid (CHEBI:70803)
albizoside B (CHEBI:65380) has functional parent acacic acid (CHEBI:70803)
albizoside C (CHEBI:65381) has functional parent acacic acid (CHEBI:70803)
IUPAC Name
(3β,16α,21β)-3,16,21-trihydroxyolean-12-en-28-oic acid
Registry Numbers Types Sources
1962-14-7 CAS Registry Number ChemIDplus
2229601 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
5083247 PubMed citation Europe PMC
Last Modified
04 January 2013