EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:214013 - Basidiosin A

ChEBI IDCHEBI:214013
ChEBI NameBasidiosin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H48N6O7
Net Charge0
Average Mass676.815
Monoisotopic Mass676.35845
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2cnc3ccccc23)NC(=O)[C@@H]([C@H](C)O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O
InChIInChI=1S/C36H48N6O7/c1-6-20(4)30-35(48)39-28(16-22-11-13-24(44)14-12-22)34(47)42-31(21(5)43)36(49)40-29(17-23-18-37-26-10-8-7-9-25(23)26)32(45)38-27(15-19(2)3)33(46)41-30/h7-14,18-21,27-31,37,43-44H,6,15-17H2,1-5H3,(H,38,45)(H,39,48)(H,40,49)(H,41,46)(H,42,47)/t20-,21-,27-,28+,29-,30-,31+/m0/s1
InChIKeyVINBCMBBIMPHNN-GGZGSIAPSA-N
Species of MetaboliteComponentSourceComments
Basidiobolus meristosporus (ncbitaxon:423460) - PubMed (32565347)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Basidiosin A (CHEBI:214013) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(3S,6S,9S,12R,15R)-3-[(2S)-butan-2-yl]-12-[(1S)-1-hydroxyethyl]-15-[(4-hydroxyphenyl)methyl]-9-(1H-indol-3-ylmethyl)-6-(2-methylpropyl)-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone