CHEBI:16314 - N-formylmethanofuran

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-formylmethanofuran
ChEBI ID CHEBI:16314
ChEBI ASCII Name N-formylmethanofuran
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:14283, CHEBI:5157, CHEBI:21718
Supplier Information
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Formula C35H44N4O16
Net Charge 0
Average Mass 776.74122
Monoisotopic Mass 776.27523
InChI InChI=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
InChIKey RGBIJPWAWLXPOC-XUJYPJAKSA-N
SMILES [H]C(=O)NCc1cc(COc2ccc(CCNC(=O)CC[C@H](NC(=O)CC[C@H](NC(=O)CC[C@@H]([C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)cc2)co1
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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
Formylmethanofuran KEGG COMPOUND
Manual Xref Database
C01001 KEGG COMPOUND
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Registry Number Type Source
94483-60-0 CAS Registry Number KEGG COMPOUND
Last Modified
04 August 2014