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CHEBI:203473 - Salfredin A3

ChEBI IDCHEBI:203473
ChEBI NameSalfredin A3
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H19NO9
Net Charge0
Average Mass393.348
Monoisotopic Mass393.10598
SMILESC[C@@H](C(=O)O)[C@@H]1Cc2c(cc3c(c2O)CN(C(CCC(=O)O)C(=O)O)C3=O)O1
InChIInChI=1S/C18H19NO9/c1-7(17(24)25)12-5-9-13(28-12)4-8-10(15(9)22)6-19(16(8)23)11(18(26)27)2-3-14(20)21/h4,7,11-12,22H,2-3,5-6H2,1H3,(H,20,21)(H,24,25)(H,26,27)/t7-,11?,12+/m1/s1
InChIKeyLUQQOGMISYEYQI-RHSAEIOASA-N
Species of MetaboliteComponentSourceComments
Crucibulum (ncbitaxon:68774) - PubMed (7622427)
ChEBI Ontology
Outgoing Relation(s)
Salfredin A3 (CHEBI:203473) is a glutamic acid derivative (CHEBI:24315)
IUPAC Name 
2-[(2S)-2-[(1R)-1-carboxyethyl]-4-hydroxy-7-oxo-3,5-dihydro-2H-uro[2,3-]isoindol-6-yl]pentanedioic acid
Manual XrefsDatabases
8244671ChemSpider