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CHEBI:231238 - Ethanol and folate

ChEBI IDCHEBI:231238
ChEBI NameEthanol and folate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H23N7O6
Net Charge0
Average Mass469.458
Monoisotopic Mass469.17098
SMILESCCOC(=O)CC[C@H](NC(=O)c1ccc(NCc2cnc3nc(N)nc(=O)c3n2)cc1)C(=O)O
InChIInChI=1S/C21H23N7O6/c1-2-34-15(29)8-7-14(20(32)33)26-18(30)11-3-5-12(6-4-11)23-9-13-10-24-17-16(25-13)19(31)28-21(22)27-17/h3-6,10,14,23H,2,7-9H2,1H3,(H,26,30)(H,32,33)(H3,22,24,27,28,31)/t14-/m0/s1
InChIKeyMRPSQXGBPTZNAY-AWEZNQCLSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
Ethanol and folate (CHEBI:231238) is a glutamic acid derivative (CHEBI:24315)
IUPAC Name 
(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-ethoxy-5-oxopentanoic acid
Manual XrefsDatabases
67491064ChemSpider