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CHEBI:221659 - Hydroxymycotrienin A

ChEBI IDCHEBI:221659
ChEBI NameHydroxymycotrienin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H46N2O8
Net Charge0
Average Mass622.759
Monoisotopic Mass622.32542
SMILESCOC1C=C/C=C/C=C/CC(OC(=O)[C@@H](C)NC(=O)C2CCCCC2)C(C)C(O)/C=C\CCC2=CC(=O)C=C(NC(=O)C1)C2=O
InChIInChI=1S/C35H46N2O8/c1-23-30(39)18-13-12-16-26-20-27(38)21-29(33(26)41)37-32(40)22-28(44-3)17-10-5-4-6-11-19-31(23)45-35(43)24(2)36-34(42)25-14-8-7-9-15-25/h4-6,10-11,13,17-18,20-21,23-25,28,30-31,39H,7-9,12,14-16,19,22H2,1-3H3,(H,36,42)(H,37,40)/b5-4+,11-6+,17-10?,18-13-/t23?,24-,28?,30?,31?/m1/s1
InChIKeyTZUOLVRFZJPGRC-CJUNPOOESA-N
Species of MetaboliteComponentSourceComments
Bacillus (ncbitaxon:1386) - PubMed (8682718)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Hydroxymycotrienin A (CHEBI:221659) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
[(8E,10E,16Z)-15-hydroxy-5-methoxy-14-methyl-3,22,24-trioxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20-hexaen-13-yl] (2R)-2-(cyclohexanecarbonylamino)propanoate