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CHEBI:195299 - Grace_C1_2023

ChEBI IDCHEBI:195299
ChEBI NameGrace_C1_2023
Stars
DefinitionAnti-microbial activity Staphylococcus aureus
Last Modified29 August 2024
SubmitterHezinglila
DownloadsMolfile
FormulaC25H26FN3O8
Net Charge0
Average Mass515.494
Monoisotopic Mass515.17039
SMILES[C:1]([C:2](=[O:3])[O:4][c:5]1[c:6]([H:41])[c:7]([H:42])[c:8]([H:43])[c:9]([H:44])[c:10]1[C:11](=[O:12])[O:13][C:14]([C:15](=[O:16])[N:17]([C:18]([C:19]1([H:50])[C:20]([H:51])([H:52])[N:21]([c:25]2[c:26]([H:53])[c:27]([F:37])[c:28]([N:31]3[C:32]([H:56])([H:57])[C:33]([H:58])([H:59])[O:34][C:35]([H:60])([H:61])[C:36]3([H:62])[H:63])[c:29]([H:54])[c:30]2[H:55])[C:22](=[O:23])[O:24]1)([H:48])[H:49])[H:47])([H:45])[H:46])([H:38])([H:39])[H:40]
InChIInChI=1S/C25H26FN3O8/c1-16(30)36-22-5-3-2-4-19(22)24(32)35-15-23(31)27-13-18-14-29(25(33)37-18)17-6-7-21(20(26)12-17)28-8-10-34-11-9-28/h2-7,12,18H,8-11,13-15H2,1H3,(H,27,31)
InChIKeyDHNOULBSVABTDJ-UHFFFAOYSA-N
Roles Classification
Biological Role:
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
ChEBI Ontology
Outgoing Relation(s)
Grace_C1_2023 (CHEBI:195299) has role antibacterial agent (CHEBI:33282)
Grace_C1_2023 (CHEBI:195299) is a benzoate ester (CHEBI:36054)
Brand Name  Source
Hezinglila Grace compound 1SUBMITTER