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CHEBI:172690 - Lucidenic acid A

Default Structure
ChEBI IDCHEBI:172690
ChEBI NameLucidenic acid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H38O6
Net Charge0
Average Mass458.595
Monoisotopic Mass458.26684
SMILES[H][C@@]12C[C@H](O)C3=C(C(=O)C[C@@]4(C)[C@@]3(C)C(=O)C[C@]4([H])[C@H](C)CCC(=O)O)[C@@]1(C)CCC(=O)C2(C)C
InChIInChI=1S/C27H38O6/c1-14(7-8-21(32)33)15-11-20(31)27(6)23-16(28)12-18-24(2,3)19(30)9-10-25(18,4)22(23)17(29)13-26(15,27)5/h14-16,18,28H,7-13H2,1-6H3,(H,32,33)/t14-,15-,16+,18+,25+,26-,27+/m1/s1
InChIKeyINIPQDKLXQHEAJ-NCQSLMINSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
Lucidenic acid A (CHEBI:172690) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(4R)-4-[(5R,7S,10S,13R,14R,17R)-7-hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
Manual XrefsDatabases
16738091ChemSpider