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CHEBI:77873 - hydrogenobyrinate(4−)

ChEBI IDCHEBI:77873
ChEBI Namehydrogenobyrinate(4−)
Stars
ASCII Namehydrogenobyrinate(4-)
DefinitionA precorrin carboxylic acid anion that is the tetraanionic form of hydrogenobyrinic acid. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified11 June 2014
SubmitterKAX
DownloadsMolfile
FormulaC45H56N4O14
Net Charge-4
Average Mass876.957
Monoisotopic Mass876.38150
SMILESC/C1=C2/[NH+]=C(/C=C3\[NH+]=C(/C(C)=C4\N[C@@](C)([C@@H]5[NH+]=C1[C@](C)(CCC(=O)[O-])[C@H]5CC(=O)[O-])[C@@](C)(CC(=O)[O-])[C@@H]4CCC(=O)[O-])[C@@](C)(CC(=O)[O-])[C@@H]3CCC(=O)[O-])C(C)(C)[C@@H]2CCC(=O)[O-]
InChIInChI=1S/C45H60N4O14/c1-21-36-24(10-13-30(52)53)41(3,4)28(47-36)18-27-23(9-12-29(50)51)43(6,19-34(60)61)39(46-27)22(2)37-25(11-14-31(54)55)44(7,20-35(62)63)45(8,49-37)40-26(17-33(58)59)42(5,38(21)48-40)16-15-32(56)57/h18,23-26,40,49H,9-17,19-20H2,1-8H3,(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)/p-4/b27-18-,36-21-,37-22-/t23-,24-,25-,26+,40-,42-,43+,44+,45+/m1/s1
InChIKeyMYMATQFDUQLSCD-IPUCCYEASA-J
ChEBI Ontology
Outgoing Relation(s)
hydrogenobyrinate(4−) (CHEBI:77873) is a precorrin carboxylic acid anion (CHEBI:59140)
hydrogenobyrinate(4−) (CHEBI:77873) is conjugate acid of hydrogenobyrinate(6−) (CHEBI:58323)
hydrogenobyrinate(4−) (CHEBI:77873) is conjugate base of hydrogenobyrinic acid (CHEBI:17926)
Incoming Relation(s)
hydrogenobyrinic acid (CHEBI:17926) is conjugate acid of hydrogenobyrinate(4−) (CHEBI:77873)
hydrogenobyrinate(6−) (CHEBI:58323) is conjugate base of hydrogenobyrinate(4−) (CHEBI:77873)
UniProt Name  Source
hydrogenobyrinateUniProt