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CHEBI:198803 - Salinamide E

ChEBI IDCHEBI:198803
ChEBI NameSalinamide E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H62N6O12
Net Charge0
Average Mass854.999
Monoisotopic Mass854.44257
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](C)[C@H](O)C(C)C)[C@H](C)OC(=O)[C@@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H](c2ccc(OC)cc2)NC1=O
InChIInChI=1S/C43H62N6O12/c1-10-23(4)32-39(55)48-35(28-16-18-29(60-9)19-17-28)42(58)49(8)31(20-27-14-12-11-13-15-27)38(54)46-33(25(6)51)40(56)44-30(21-50)43(59)61-26(7)34(41(57)45-32)47-37(53)24(5)36(52)22(2)3/h11-19,22-26,30-36,50-52H,10,20-21H2,1-9H3,(H,44,56)(H,45,57)(H,46,54)(H,47,53)(H,48,55)/t23-,24-,25+,26-,30+,31+,32-,33-,34+,35+,36+/m0/s1
InChIKeyOMRQLNQIRCTHRM-YJDILNHTSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1021/jo9814391)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Salinamide E (CHEBI:198803) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2S,3R)-N-[(3R,6S,9R,12R,15S,18R,19S)-9-benzyl-15-[(2S)-butan-2-yl]-6-[(1R)-1-hydroxyethyl]-3-(hydroxymethyl)-12-(4-methoxyphenyl)-10,19-dimethyl-2,5,8,11,14,17-hexaoxo-1-oxa-4,7,10,13,16-pentazacyclononadec-18-yl]-3-hydroxy-2,4-dimethylpentanamide
Manual XrefsDatabases
10477566ChemSpider