CHEBI:224556 - Applanoxidic acid G

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Applanoxidic acid G
ChEBI ID CHEBI:224556
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H40O8
Net Charge 0
Average Mass 528.642
Monoisotopic Mass 528.27232
InChI InChI=1S/C30H40O8/c1-15(24(35)36)10-16(31)14-27(5,37)19-12-22(34)29(7)28(19,6)21(33)11-18-26(4)9-8-20(32)25(2,3)17(26)13-23-30(18,29)38-23/h11-12,15,17,22-23,34,37H,8-10,13-14H2,1-7H3,(H,35,36)/t15?,17-,22+,23+,26-,27?,28-,29+,30-/m0/s1
InChIKey DYPIHYCSZZORMA-ZVVXJMBHSA-N
SMILES O=C1C=C2[C@@]3([C@H](C(C(=O)CC3)(C)C)C[C@@H]4[C@]2(O4)[C@]5([C@]1(C(=C[C@H]5O)C(O)(CC(=O)CC(C(=O)O)C)C)C)C)C
Metabolite of Species Details
Ganoderma applanatum (NCBI:txid29884) See: DOI
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Applanoxidic acid G (CHEBI:224556) is a bile acid (CHEBI:3098)
IUPAC Name
6-hydroxy-6-[(1R,3R,5R,10S,14R,17R,18S)-17-hydroxy-6,6,10,14,18-pentamethyl-7,13-dioxo-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadeca-11,15-dien-15-yl]-2-methyl-4-oxoheptanoic acid
Manual Xref Database
8431868 ChemSpider
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