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CHEBI:223094 - Ansatrienin A2

ChEBI IDCHEBI:223094
ChEBI NameAnsatrienin A2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H46N2O8
Net Charge0
Average Mass610.748
Monoisotopic Mass610.32542
SMILESCC[C@H](C)C(=O)N[C@@H](C)C(=O)O[C@H]1C/C=C\C=C\C=C\[C@H](OC)CC(=O)NC2=CC(=O)C=C(CC/C=C(\C)[C@H](O)[C@@H]1C)C2=O
InChIInChI=1S/C34H46N2O8/c1-7-21(2)33(41)35-24(5)34(42)44-29-17-12-10-8-9-11-16-27(43-6)20-30(38)36-28-19-26(37)18-25(32(28)40)15-13-14-22(3)31(39)23(29)4/h8-12,14,16,18-19,21,23-24,27,29,31,39H,7,13,15,17,20H2,1-6H3,(H,35,41)(H,36,38)/b9-8+,12-10-,16-11+,22-14+/t21-,23+,24-,27-,29-,31-/m0/s1
InChIKeyJFTBOCROFWRVMA-YDTABVOZSA-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 A2 (CHEBI:223094) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
[(5R,6E,8E,10Z,13S,14S,15R,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] (2S)-2-[[(2S)-2-methylbutanoyl]amino]propanoate
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