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CHEBI:16314 - N-formylmethanofuran

ChEBI IDCHEBI:16314
ChEBI NameN-formylmethanofuran
Stars
ASCII NameN-formylmethanofuran
Secondary ChEBI IDsCHEBI:5157, CHEBI:14283, CHEBI:21718
Last Modified3 August 2014
DownloadsMolfile
FormulaC35H44N4O16
Net Charge0
Average Mass776.749
Monoisotopic Mass776.27523
SMILES[H]C(=O)NCc1cc(COc2ccc(CCNC(=O)CC[C@H](NC(=O)CC[C@H](NC(=O)CC[C@H](C(=O)O)[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)cc2)co1
InChIInChI=1S/C35H44N4O16/c40-19-36-16-23-15-21(18-55-23)17-54-22-3-1-20(2-4-22)13-14-37-28(41)10-7-26(34(50)51)39-30(43)11-8-27(35(52)53)38-29(42)9-5-24(32(46)47)25(33(48)49)6-12-31(44)45/h1-4,15,18-19,24-27H,5-14,16-17H2,(H,36,40)(H,37,41)(H,38,42)(H,39,43)(H,44,45)(H,46,47)(H,48,49)(H,50,51)(H,52,53)/t24-,25+,26-,27-/m0/s1
InChIKeyRGBIJPWAWLXPOC-XUJYPJAKSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
N-formylmethanofuran (CHEBI:16314) has functional parent methanofuran (CHEBI:17448)
N-formylmethanofuran (CHEBI:16314) is a pentacarboxylic acid (CHEBI:35743)
N-formylmethanofuran (CHEBI:16314) is conjugate acid of N-formylmethanofuran(5−) (CHEBI:57727)
Incoming Relation(s)
N-formylmethanofuran(5−) (CHEBI:57727) is conjugate base of N-formylmethanofuran (CHEBI:16314)
IUPAC Name 
N2-[rel-(4R,5S)-4,5,7-tricarboxyheptanoyl]-L-γ-glutamyl-N5-[2-(4-{[5-(formamidomethyl)-3-furyl]methoxy}phenyl)ethyl]-L-glutamine
Synonym  Source
FormylmethanofuranKEGG COMPOUND
Manual XrefsDatabases
C01001KEGG COMPOUND
Registry NumbersSources
CAS:94483-60-0KEGG COMPOUND