triptotriterpenic acid A (CHEBI:132370)

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CHEBI:132370 - triptotriterpenic acid A

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ChEBI ID	CHEBI:132370
ChEBI Name	triptotriterpenic acid A
Stars
Definition	A pentacyclic triterpenoid with formula C₃₀H₄₈O₄, originally isolated from Tripterygium hypoglaucum.
Last Modified	24 October 2016
Submitter	liuqingping
Downloads	Molfile

Formula	C30H48O4
Net Charge	0
Average Mass	472.710
Monoisotopic Mass	472.35526
SMILES	[H][C@]12CC=C3[C@]4([H])C[C@](C)(C(=O)O)C[C@H](O)[C@]4(C)CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C
InChI	InChI=1S/C30H48O4/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3,24(33)34)17-23(32)27(19,4)14-15-29(18,30)6/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20-,21+,22-,23-,26-,27+,28-,29+,30+/m0/s1
InChIKey	JTBGJQZJEYVBJZ-YLXTXNMFSA-N

Species of Metabolite	Component	Source	Comments
Tripterygium hypoglaucum (ncbitaxon:205465)	-	PubMed (CBA:535601)
Euonymus laxiflorus (ncbitaxon:1009469)
	stem (BTO:0001300)	PubMed (12713415)
	leaf (BTO:0000713)	PubMed (12713415)
Begonia nantoensis (ncbitaxon:78253)	rhizome (BTO:0001181)	PubMed (14993759)

Roles Classification

Chemical Role:	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

ChEBI Ontology

Outgoing Relation(s)
	triptotriterpenic acid A (CHEBI:132370) has parent hydride oleanane (CHEBI:36481)
	triptotriterpenic acid A (CHEBI:132370) has role plant metabolite (CHEBI:76924)
	triptotriterpenic acid A (CHEBI:132370) is a diol (CHEBI:23824)
	triptotriterpenic acid A (CHEBI:132370) is a hydroxy monocarboxylic acid (CHEBI:35868)
	triptotriterpenic acid A (CHEBI:132370) is a pentacyclic triterpenoid (CHEBI:25872)

IUPAC Name
(3β,22α)-3,22-dihydroxyolean-12-en-29-oic acid

Synonyms	Source
3,22-Dihydroxyolean-12-en-29-oic acid	ChemIDplus
3β,22α-dihydroxyolean-12-en-29-oic acid	ChEBI

Registry Numbers	Sources
Reaxys:5857675	Reaxys
CAS:100897-87-8	ChemIDplus

Citations