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CHEBI:223088 - Ansatrienin A3

ChEBI IDCHEBI:223088
ChEBI NameAnsatrienin A3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H46N2O8
Net Charge0
Average Mass610.748
Monoisotopic Mass610.32542
SMILESCO[C@@H]1/C=C/C=C/C=C\C[C@H](OC(=O)[C@@H](C)NC(=O)CC(C)C)[C@@H](C)[C@H](O)/C(C)=C/CCC2=CC(=O)C=C(NC(=O)C1)C2=O
InChIInChI=1S/C34H46N2O8/c1-21(2)17-30(38)35-24(5)34(42)44-29-16-11-9-7-8-10-15-27(43-6)20-31(39)36-28-19-26(37)18-25(33(28)41)14-12-13-22(3)32(40)23(29)4/h7-11,13,15,18-19,21,23-24,27,29,32,40H,12,14,16-17,20H2,1-6H3,(H,35,38)(H,36,39)/b8-7+,11-9-,15-10+,22-13+/t23-,24-,27-,29+,32-/m1/s1
InChIKeyJBNJKAJZJDHYFN-ZRGMXXQJSA-N
Species of MetaboliteComponentSourceComments
Streptomyces collinus (ncbitaxon:42684) - PubMed (6833138)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Ansatrienin A3 (CHEBI:223088) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
[(5S,6E,8E,10Z,13S,14S,15S,16E)-15-hydroxy-5-methoxy-14,16-dimethyl-3,22,24-trioxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20-hexaen-13-yl] (2R)-2-(3-methylbutanoylamino)propanoate