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CHEBI:216044 - Largimycin A3

ChEBI IDCHEBI:216044
ChEBI NameLargimycin A3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H23ClN2O8S
Net Charge0
Average Mass522.963
Monoisotopic Mass522.08636
SMILESC[C@@]12/C=C/C(=O)/C=C/C=C\c3coc(n3)/C([C@H](O)CCl)=N\OC(=O)C[C@@]([C@@]3(C(=O)O)CO3)(CC1)S2
InChIInChI=1S/C23H23ClN2O8S/c1-21-7-6-15(27)5-3-2-4-14-12-32-19(25-14)18(16(28)11-24)26-34-17(29)10-22(35-21,9-8-21)23(13-33-23)20(30)31/h2-7,12,16,28H,8-11,13H2,1H3,(H,30,31)/b4-2-,5-3+,7-6+,26-18-/t16-,21-,22-,23+/m1/s1
InChIKeySRTHRTWGDJJGDY-YWAQVVFGSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (32310633)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Largimycin A3 (CHEBI:216044) is a carboxylic acid (CHEBI:33575)
Largimycin A3 (CHEBI:216044) is a epoxide (CHEBI:32955)