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CHEBI:214586 - Chaiyaphumine C

ChEBI IDCHEBI:214586
ChEBI NameChaiyaphumine C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC35H42N6O7
Net Charge0
Average Mass658.756
Monoisotopic Mass658.31150
SMILESCCC(=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/C35H42N6O7/c1-4-29(42)40-30-21(3)48-35(47)27(18-23-19-36-25-14-9-8-13-24(23)25)39-32(44)28-15-10-16-41(28)34(46)20(2)37-31(43)26(38-33(30)45)17-22-11-6-5-7-12-22/h5-9,11-14,19-21,26-28,30,36H,4,10,15-18H2,1-3H3,(H,37,43)(H,38,45)(H,39,44)(H,40,42)/t20-,21-,26-,27+,28+,30+/m1/s1
InChIKeyQSPXSYVWKDXNNL-DXMRSHBNSA-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 C (CHEBI:214586) 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]propanamide
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34237534ChemSpider