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CHEBI:227530 - Mycotrienin II

ChEBI IDCHEBI:227530
ChEBI NameMycotrienin II
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H50N2O8
Net Charge0
Average Mass638.802
Monoisotopic Mass638.35672
SMILESCOC1C=C/C=C/C=C/CC(OC(=O)C(C)NC(=O)C2CCCCC2)C(C)C(O)/C(C)=C\CCc2cc(O)cc(c2O)NC(=O)C1
InChIInChI=1S/C36H50N2O8/c1-23-14-13-17-27-20-28(39)21-30(34(27)42)38-32(40)22-29(45-4)18-11-6-5-7-12-19-31(24(2)33(23)41)46-36(44)25(3)37-35(43)26-15-9-8-10-16-26/h5-7,11-12,14,18,20-21,24-26,29,31,33,39,41-42H,8-10,13,15-17,19,22H2,1-4H3,(H,37,43)(H,38,40)/b6-5+,12-7+,18-11?,23-14-
InChIKeyVVJDHJZQBGWPEQ-BKOAXCBTSA-N
Species of MetaboliteComponentSourceComments
Streptomyces rishiriensis (ncbitaxon:68264) - PubMed (7161185)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Mycotrienin II (CHEBI:227530) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
[(8E,10E,16Z)-15,22,24-trihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20(24),21-heptaen-13-yl] 2-(cyclohexanecarbonylamino)propanoate