EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:180644 - Periandrin V

ChEBI IDCHEBI:180644
ChEBI NamePeriandrin V
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H62O14
Net Charge0
Average Mass778.933
Monoisotopic Mass778.41396
SMILESCC1(C(=O)O)C=C2C3CCC4C5(C=O)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OCC(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CCC2(C)CC1
InChIInChI=1S/C41H62O14/c1-36(2)23-9-11-40(6)24(8-7-20-21-17-38(4,35(50)51)14-13-37(21,3)15-16-39(20,40)5)41(23,19-42)12-10-25(36)53-34-31(28(46)27(45)30(54-34)32(48)49)55-33-29(47)26(44)22(43)18-52-33/h17,19-20,22-31,33-34,43-47H,7-16,18H2,1-6H3,(H,48,49)(H,50,51)
InChIKeyOHGFKHHCPIGSKE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Periandrin V (CHEBI:180644) is a triterpenoid saponin (CHEBI:61778)
IUPAC Name 
6-[(11-carboxy-14b-ormyl-4,4,6a,6b,8a,11-hexamethyl-1,2,3,4a,5,6,6a,7,8,9,10,13,14,14a-tetradecahydropicen-3-yl)oxy]-3,4-dihydroxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0039591HMDB
167132ChemSpider
Registry NumbersSources
CAS:152464-84-1ChemIDplus