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CHEBI:220091 - Safracin A

ChEBI IDCHEBI:220091
ChEBI NameSafracin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H36N4O6
Net Charge0
Average Mass524.618
Monoisotopic Mass524.26348
SMILESCOC1=C(C)C(=O)C2=C(C1=O)[C@H](CNC(=O)[C@H](C)N)N1C[C@H]3Cc4cc(C)c(OC)c(O)c4[C@@H]([C@@H]1C2)N3C
InChIInChI=1S/C28H36N4O6/c1-12-7-15-8-16-11-32-18(22(31(16)4)20(15)24(34)26(12)37-5)9-17-21(19(32)10-30-28(36)14(3)29)25(35)27(38-6)13(2)23(17)33/h7,14,16,18-19,22,34H,8-11,29H2,1-6H3,(H,30,36)/t14-,16+,18-,19-,22+/m0/s1
InChIKeyAZDDAJXLYMVMAW-BVFBRMCBSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas fluorescens (ncbitaxon:294) - PubMed (6643278)
ChEBI Ontology
Outgoing Relation(s)
Safracin A (CHEBI:220091) is a amino acid amide (CHEBI:22475)
IUPAC Name 
(2S)-2-amino-N-[[(1S,2S,10R,13R)-19-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8-dioxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),16,18-pentaen-10-yl]methyl]propanamide
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140880ChemSpider