EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:223019 - 15alpha-hydroxy-3,4-secolanosta-4(28),8,24-triene-3,21-dioic acid

Default Structure
ChEBI IDCHEBI:223019
ChEBI Name15alpha-hydroxy-3,4-secolanosta-4(28),8,24-triene-3,21-dioic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H46O5
Net Charge0
Average Mass486.693
Monoisotopic Mass486.33452
SMILESC=C(C)[C@@H]1CCC2=C(CC[C@]3(C)[C@@H]([C@@H](CCC=C(C)C)C(=O)O)C[C@H](O)[C@@]23C)[C@@]1(C)CCC(=O)O
InChIInChI=1S/C30H46O5/c1-18(2)9-8-10-20(27(34)35)24-17-25(31)30(7)23-12-11-21(19(3)4)28(5,15-14-26(32)33)22(23)13-16-29(24,30)6/h9,20-21,24-25,31H,3,8,10-17H2,1-2,4-7H3,(H,32,33)(H,34,35)/t20-,21+,24-,25+,28+,29-,30-/m1/s1
InChIKeyHPGYGBFTSAORFN-GPTCQRHWSA-N
Species of MetaboliteComponentSourceComments
Laetiporus sulphureus var. miniatus (ncbitaxon:447505) - PubMed (25916960)
ChEBI Ontology
Outgoing Relation(s)
15alpha-hydroxy-3,4-secolanosta-4(28),8,24-triene-3,21-dioic acid (CHEBI:223019) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(2R)-2-[(1S,3R,3aR,6S,7S,9bR)-6-(2-carboxyethyl)-1-hydroxy-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,5,7,8,9-octahydrocyclopenta[a]naphthalen-3-yl]-6-methylhept-5-enoic acid
Manual XrefsDatabases
78441402ChemSpider