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CHEBI:210655 - Enduspeptide E

ChEBI IDCHEBI:210655
ChEBI NameEnduspeptide E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H74N8O10
Net Charge0
Average Mass971.210
Monoisotopic Mass970.55279
SMILESCC(=O)N[C@@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)O[C@H]1C
InChIInChI=1S/C52H74N8O10/c1-30(2)26-37-46(63)57-43(32(5)6)51(68)60-25-17-23-41(60)50(67)59-24-16-22-40(59)47(64)56-39(27-31(3)4)49(66)58(9)42(29-36-20-14-11-15-21-36)52(69)70-33(7)44(53-34(8)61)48(65)55-38(45(62)54-37)28-35-18-12-10-13-19-35/h10-15,18-21,30-33,37-44H,16-17,22-29H2,1-9H3,(H,53,61)(H,54,62)(H,55,65)(H,56,64)(H,57,63)/t33-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1
InChIKeyLQYHIZJYWFXMMH-CMIKULOJSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - DOI (10.1016/j.tet.2016.12.033)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Enduspeptide E (CHEBI:210655) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
N-[(3S,9S,12S,15S,18S,19S,22S,25S,28S)-15,22-dibenzyl-19,23-dimethyl-12,25-bis(2-methylpropyl)-2,8,11,14,17,21,24,27-octaoxo-9-propan-2-yl-20-oxa-1,7,10,13,16,23,26-heptazatricyclo[26.3.0.03,7]hentriacontan-18-yl]acetamide
Manual XrefsDatabases
78441705ChemSpider