EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:223739 - Brasilicardin C

ChEBI IDCHEBI:223739
ChEBI NameBrasilicardin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H51NO9
Net Charge0
Average Mass569.736
Monoisotopic Mass569.35638
SMILESCO[C@@H](C[C@H]1C(C)=CC[C@@H]2[C@]3(C)C[C@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)C(C)(C)[C@H]3CC[C@]21C)[C@H](N)C(=O)O
InChIInChI=1S/C30H51NO9/c1-14-8-9-20-29(5,16(14)12-17(38-7)21(31)26(36)37)11-10-19-28(3,4)25(35)18(13-30(19,20)6)40-27-24(34)23(33)22(32)15(2)39-27/h8,15-25,27,32-35H,9-13,31H2,1-7H3,(H,36,37)/t15-,16-,17-,18-,19+,20-,21-,22-,23+,24+,25+,27-,29-,30+/m0/s1
InChIKeyLUNXVGWMJOCBHF-OJFBMAEFSA-N
Species of MetaboliteComponentSourceComments
Nocardia (ncbitaxon:1817) - PubMed (15465331)
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)
Brasilicardin C (CHEBI:223739) is a steroid saponin (CHEBI:61655)
IUPAC Name 
(2S,3S)-4-[(1S,4aS,4bS,6S,7S,8aS,10aS)-7-hydroxy-2,4b,8,8,10a-pentamethyl-6-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-4,4a,5,6,7,8a,9,10-octahydro-1H-phenanthren-1-yl]-2-amino-3-methoxybutanoic acid
Manual XrefsDatabases
9390297ChemSpider