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CHEBI:213890 - Etamycin VI-2

ChEBI IDCHEBI:213890
ChEBI NameEtamycin VI-2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H60N8O11
Net Charge0
Average Mass864.998
Monoisotopic Mass864.43815
SMILESCCC(C)C1NC(=O)C(NC(=O)c2ncccc2O)C(C)OC(=O)C(c2ccccc2)N(C)C(=O)C(C)NC(=O)C(C(C)C(C)C)NC(=O)CN(C)C(=O)C2C[C@@H](O)CN2C1=O
InChIInChI=1S/C43H60N8O11/c1-10-23(4)32-42(60)51-20-28(52)19-29(51)41(59)49(8)21-31(54)46-33(24(5)22(2)3)37(55)45-25(6)40(58)50(9)36(27-15-12-11-13-16-27)43(61)62-26(7)34(38(56)47-32)48-39(57)35-30(53)17-14-18-44-35/h11-18,22-26,28-29,32-34,36,52-53H,10,19-21H2,1-9H3,(H,45,55)(H,46,54)(H,47,56)(H,48,57)/t23?,24?,25?,26?,28-,29?,32?,33?,34?,36?/m1/s1
InChIKeyXAZVYFZBPRFBMH-UILHFNNNSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (468725)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Etamycin VI-2 (CHEBI:213890) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
N-[(24R)-3-butan-2-yl-24-hydroxy-7,11,13,20-tetramethyl-16-(3-methylbutan-2-yl)-2,5,9,12,15,18,21-heptaoxo-10-phenyl-8-oxa-1,4,11,14,17,20-hexazabicyclo[20.3.0]pentacosan-6-yl]-3-hydroxypyridine-2-carboxamide
Manual XrefsDatabases
78445417ChemSpider