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CHEBI:198567 - Marformycin E

ChEBI IDCHEBI:198567
ChEBI NameMarformycin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H66N8O11
Net Charge0
Average Mass859.035
Monoisotopic Mass858.48510
SMILESCOc1ccc(C[C@H]2NC(=O)[C@@H](NC(=O)[C@@H](NC=O)C(C)C)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@@H]3C[C@H](O)CNN3C(=O)[C@@H](C(C)C)NC2=O)cc1
InChIInChI=1S/C42H66N8O11/c1-21(2)16-30-40(57)49(10)35(24(7)8)42(59)61-25(9)34(48-38(55)32(22(3)4)43-20-51)39(56)45-29(17-26-12-14-28(60-11)15-13-26)36(53)47-33(23(5)6)41(58)50-31(37(54)46-30)18-27(52)19-44-50/h12-15,20-25,27,29-35,44,52H,16-19H2,1-11H3,(H,43,51)(H,45,56)(H,46,54)(H,47,53)(H,48,55)/t25-,27+,29-,30+,31+,32+,33-,34+,35+/m1/s1
InChIKeyAVKYRWJIYHSTKI-ZBPXFRMLSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1016/j.tet.2014.02.007)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Marformycin E (CHEBI:198567) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2S)-2-ormamido-N-[(3R,6R,9S,10R,13S,16S,19S,21S)-21-hydroxy-6-[(4-methoxyphenyl)methyl]-10,14-dimethyl-16-(2-methylpropyl)-2,5,8,12,15,18-hexaoxo-3,13-di(propan-2-yl)-11-oxa-1,4,7,14,17,23-hexazabicyclo[17.4.0]tricosan-9-yl]-3-methylbutanamide
Manual XrefsDatabases
34981689ChemSpider