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CHEBI:202756 - Chaiyaphumine D

ChEBI IDCHEBI:202756
ChEBI NameChaiyaphumine D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H40N6O7
Net Charge0
Average Mass644.729
Monoisotopic Mass644.29585
SMILESCC(=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/C34H40N6O7/c1-19-33(45)40-15-9-14-28(40)31(43)39-27(17-23-18-35-25-13-8-7-12-24(23)25)34(46)47-20(2)29(37-21(3)41)32(44)38-26(30(42)36-19)16-22-10-5-4-6-11-22/h4-8,10-13,18-20,26-29,35H,9,14-17H2,1-3H3,(H,36,42)(H,37,41)(H,38,44)(H,39,43)/t19-,20-,26-,27+,28+,29+/m1/s1
InChIKeyIACBOWBNBXRQFN-PKYHHUKHSA-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 D (CHEBI:202756) 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]acetamide
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78440141ChemSpider