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CHEBI:58151 - methanofuranate(4−)

Default Structure
ChEBI IDCHEBI:58151
ChEBI Namemethanofuranate(4−)
Stars
ASCII Namemethanofuranate(4-)
DefinitionTetraanion of methanofuran arising from deprotonation of all five carboxy groups and protonation of the amino group; major species at pH 7.3.
Last Modified26 June 2017
DownloadsMolfile
FormulaC34H40N4O15
Net Charge-4
Average Mass744.707
Monoisotopic Mass744.25121
SMILES[NH3+]Cc1cc(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/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)/p-4/t23-,24+,25-,26-/m0/s1
InChIKeyCKRUWFDORAQSRC-QYOOZWMWSA-J
ChEBI Ontology
Outgoing Relation(s)
methanofuranate(4−) (CHEBI:58151) is a peptide anion (CHEBI:60334)
methanofuranate(4−) (CHEBI:58151) is conjugate base of methanofuran (CHEBI:17448)
Incoming Relation(s)
methanofuran (CHEBI:17448) is conjugate acid of methanofuranate(4−) (CHEBI:58151)
Synonym  Source
methanofuranate tetraanionChEBI
UniProt Name  Source
methanofuranUniProt