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CHEBI:222523 - Xenematide G

ChEBI IDCHEBI:222523
ChEBI NameXenematide G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H41N5O6
Net Charge0
Average Mass603.720
Monoisotopic Mass603.30568
SMILESCCCCC[C@@H]1NC(=O)[C@@H](NC(=O)Cc2ccccc2)[C@@H](C)OC(=O)CCNC(=O)[C@@H](Cc2cnc3ccccc23)NC1=O
InChIInChI=1S/C33H41N5O6/c1-3-4-6-15-26-32(42)37-27(19-23-20-35-25-14-10-9-13-24(23)25)31(41)34-17-16-29(40)44-21(2)30(33(43)36-26)38-28(39)18-22-11-7-5-8-12-22/h5,7-14,20-21,26-27,30,35H,3-4,6,15-19H2,1-2H3,(H,34,41)(H,36,43)(H,37,42)(H,38,39)/t21-,26+,27-,30+/m1/s1
InChIKeyHOELLZWBKZWCAI-DDCZRDCQSA-N
Species of MetaboliteComponentSourceComments
Xenorhabdus (ncbitaxon:626) - PubMed (31263151)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Xenematide G (CHEBI:222523) is a peptide (CHEBI:16670)
IUPAC Name 
N-[(2R,3S,6S,9R)-9-(1H-indol-3-ylmethyl)-2-methyl-4,7,10,14-tetraoxo-6-pentyl-1-oxa-5,8,11-triazacyclotetradec-3-yl]-2-phenylacetamide