methanofuran (CHEBI:17448)

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CHEBI:17448 - methanofuran

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ChEBI ID	CHEBI:17448
ChEBI Name	methanofuran
Stars
Secondary ChEBI IDs	CHEBI:6815, CHEBI:14587, CHEBI:25226
Last Modified	3 August 2014
Downloads	Molfile

Formula	C34H44N4O15
Net Charge	0
Average Mass	748.739
Monoisotopic Mass	748.28032
SMILES	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
InChI	InChI=1S/C34H44N4O15/c35-16-22-15-20(18-53-22)17-52-21-3-1-19(2-4-21)13-14-36-27(39)10-7-25(33(48)49)38-29(41)11-8-26(34(50)51)37-28(40)9-5-23(31(44)45)24(32(46)47)6-12-30(42)43/h1-4,15,18,23-26H,5-14,16-17,35H2,(H,36,39)(H,37,40)(H,38,41)(H,42,43)(H,44,45)(H,46,47)(H,48,49)(H,50,51)/t23-,24+,25-,26-/m0/s1
InChIKey	CKRUWFDORAQSRC-QYOOZWMWSA-N

ChEBI Ontology

Outgoing Relation(s)
	methanofuran (CHEBI:17448) is a furans (CHEBI:24129)
	methanofuran (CHEBI:17448) is conjugate acid of methanofuranate(4−) (CHEBI:58151)
Incoming Relation(s)
	N-formylmethanofuran (CHEBI:16314) has functional parent methanofuran (CHEBI:17448)
	methanofuranate(4−) (CHEBI:58151) is conjugate base of methanofuran (CHEBI:17448)

IUPAC Name
N²-[rel-(4R,5S)-4,5,7-tricarboxyheptanoyl]-L-γ-glutamyl-N⁵-[2-(4-{[5-(aminomethyl)-3-furyl]methoxy}phenyl)ethyl]-L-glutamine

Synonyms	Source
4-[N-(4,5,7-tricarboxyheptanoyl)-γ-L-glutamyl-γ-L-glutamyl-4-(2-aminoethyl)phenoxymethyl]-2-(aminomethyl)furan	IUBMB
Carbon dioxide reduction factor	ChemIDplus
Cdr factor	ChemIDplus
L-Glutamine, N-(2-(4-((5-(aminomethyl)-3-furanyl)methoxy)phenyl)ethyl)-N2-(N-(4,5,7-tricarboxy-1-oxoheptyl)-L-gamma-glutamyl)-	ChemIDplus
Methanofuran	KEGG COMPOUND

Manual Xrefs	Databases
C00862	KEGG COMPOUND

Registry Numbers	Sources
CAS:89873-36-9	KEGG COMPOUND
CAS:89873-36-9	ChemIDplus