EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:216320 - Hexadehydro-mycotrienin II

ChEBI IDCHEBI:216320
ChEBI NameHexadehydro-mycotrienin II
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H44N2O8
Net Charge0
Average Mass632.754
Monoisotopic Mass632.30977
SMILESCOC1C=C/C=C\C=C/CC(OC(=O)[C@H](C)NC(=O)c2ccccc2)C(C)C(O)/C(C)=C\CCc2cc(O)cc(c2O)NC(=O)C1
InChIInChI=1S/C36H44N2O8/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/h5-12,14-16,18,20-21,24-25,29,31,33,39,41-42H,13,17,19,22H2,1-4H3,(H,37,43)(H,38,40)/b6-5-,12-7-,18-11?,23-14-/t24?,25-,29?,31?,33?/m0/s1
InChIKeyMFGVYXJZXAVFLB-WUPKSATBSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (7592784)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Hexadehydro-mycotrienin II (CHEBI:216320) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
[(8Z,10Z,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] (2S)-2-benzamidopropanoate