EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:198169 - Chaiyaphumine A

ChEBI IDCHEBI:198169
ChEBI NameChaiyaphumine A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H44N6O7
Net Charge0
Average Mass720.827
Monoisotopic Mass720.32715
SMILESC[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)Cc2ccccc2)[C@@H](C)OC(=O)[C@H](Cc2cnc3ccccc23)NC(=O)[C@@H]2CCCN2C1=O
InChIInChI=1S/C40H44N6O7/c1-24-39(51)46-19-11-18-33(46)37(49)44-32(22-28-23-41-30-17-10-9-16-29(28)30)40(52)53-25(2)35(45-34(47)21-27-14-7-4-8-15-27)38(50)43-31(36(48)42-24)20-26-12-5-3-6-13-26/h3-10,12-17,23-25,31-33,35,41H,11,18-22H2,1-2H3,(H,42,48)(H,43,50)(H,44,49)(H,45,47)/t24-,25-,31-,32+,33+,35+/m1/s1
InChIKeyYZLRYEXQPAXUDX-WRECJYPKSA-N
Species of MetaboliteComponentSourceComments
Xenorhabdus (ncbitaxon:626) - PubMed (24673206)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Chaiyaphumine A (CHEBI:198169) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
N-[(3R,6R,9S,10R,13S,16S)-6-benzyl-13-(1H-indol-3-ylmethyl)-3,10-dimethyl-2,5,8,12,15-pentaoxo-11-oxa-1,4,7,14-tetrazabicyclo[14.3.0]nonadecan-9-yl]-2-phenylacetamide
Manual XrefsDatabases
32033783ChemSpider