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CHEBI:222868 - ADEP 1

ChEBI IDCHEBI:222868
ChEBI NameADEP 1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H50N6O8
Net Charge0
Average Mass718.852
Monoisotopic Mass718.36901
SMILESC/C=C/C=C/C=C/C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1COC(=O)[C@@H]2C[C@@H](C)CN2C(=O)[C@H](C)NC(=O)[C@H](C)N(C)C(=O)[C@@H]2CCCN2C1=O
InChIInChI=1S/C38H50N6O8/c1-6-7-8-9-13-18-32(45)40-28(21-27-15-11-10-12-16-27)34(47)41-29-23-52-38(51)31-20-24(2)22-44(31)35(48)25(3)39-33(46)26(4)42(5)37(50)30-17-14-19-43(30)36(29)49/h6-13,15-16,18,24-26,28-31H,14,17,19-23H2,1-5H3,(H,39,46)(H,40,45)(H,41,47)/b7-6+,9-8+,18-13+/t24-,25+,26+,28+,29+,30+,31+/m1/s1
InChIKeyZGRSXMWWGUOTAO-VIEJTCJKSA-N
Species of MetaboliteComponentSourceComments
Streptococcus (ncbitaxon:1301) - PubMed (16200071)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
ADEP 1 (CHEBI:222868) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2E,4E,6E)-N-[(2S)-1-oxo-3-phenyl-1-[[(3S,7S,9R,13S,16S,19S)-9,13,16,17-tetramethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]amino]propan-2-yl]octa-2,4,6-trienamide
Manual XrefsDatabases
34450901ChemSpider