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CHEBI:219159 - Chaiyaphumine B

ChEBI IDCHEBI:219159
ChEBI NameChaiyaphumine B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H44N6O7
Net Charge0
Average Mass672.783
Monoisotopic Mass672.32715
SMILESCCCC(=O)N[C@@H]1C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cnc3ccccc23)C(=O)O[C@@H]1C
InChIInChI=1S/C36H44N6O7/c1-4-11-30(43)41-31-22(3)49-36(48)28(19-24-20-37-26-15-9-8-14-25(24)26)40-33(45)29-16-10-17-42(29)35(47)21(2)38-32(44)27(39-34(31)46)18-23-12-6-5-7-13-23/h5-9,12-15,20-22,27-29,31,37H,4,10-11,16-19H2,1-3H3,(H,38,44)(H,39,46)(H,40,45)(H,41,43)/t21-,22-,27-,28+,29+,31+/m1/s1
InChIKeyCBWGERMBARYLSR-GJQBDUKRSA-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 B (CHEBI:219159) 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]butanamide
Manual XrefsDatabases
78440277ChemSpider