CHEBI:217212 - 2-[2-formyl-5-(methoxymethyl)-1H-pyrrol-1-yl]acetic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 2-[2-formyl-5-(methoxymethyl)-1H-pyrrol-1-yl]acetic acid
ChEBI ID CHEBI:217212
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C9H13NO4
Net Charge 0
Average Mass 199.206
Monoisotopic Mass 199.08446
InChI InChI=1S/C9H13NO4/c1-14-6-8-3-2-7(5-11)10(8)4-9(12)13/h2-3,11H,4-6H2,1H3,(H,12,13)
InChIKey ORQNDWHICGCUSP-UHFFFAOYSA-N
SMILES O=C(O)CN1C(=CC=C1CO)COC
Metabolite of Species Details
Leccinum extremiorientale (NCBI:txid178529) See: DOI
ChEBI Ontology
Outgoing 2-[2-formyl-5-(methoxymethyl)-1H-pyrrol-1-yl]acetic acid (CHEBI:217212) has functional parent α-amino acid (CHEBI:33704)
2-[2-formyl-5-(methoxymethyl)-1H-pyrrol-1-yl]acetic acid (CHEBI:217212) is a organonitrogen compound (CHEBI:35352)
2-[2-formyl-5-(methoxymethyl)-1H-pyrrol-1-yl]acetic acid (CHEBI:217212) is a organooxygen compound (CHEBI:36963)
IUPAC Name
2-[2-(hydroxymethyl)-5-(methoxymethyl)pyrrol-1-yl]acetic acid
Manual Xref Database
78435710 ChemSpider
View more database links