CHEBI:58323 - hydrogenobyrinate(6−)

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ChEBI Name hydrogenobyrinate(6−)
ChEBI ID CHEBI:58323
ChEBI ASCII Name hydrogenobyrinate(6-)
Definition A precorrin carboxylic acid anion arising from global deprotonation of the seven carboxy groups and protonation of the secondary amino group of the precorrin derivative hydrogenobyrinic acid; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C45H54N4O14
Net Charge -6
Average Mass 874.92870
Monoisotopic Mass 874.36694
InChI InChI=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-6/b27-18-,36-21-,37-22-/t23-,24-,25-,26+,40-,42-,43+,44+,45+/m1/s1
InChIKey MYMATQFDUQLSCD-IPUCCYEASA-H
SMILES CC1=C2/[NH2+][C@@](C)([C@@H]3N=C(\C(C)=C4/N=C(/C=C5\N=C\1[C@@](C)(CC([O-])=O)[C@@H]5CCC([O-])=O)C(C)(C)[C@@H]4CCC([O-])=O)[C@](C)(CCC([O-])=O)[C@H]3CC([O-])=O)[C@@](C)(CC([O-])=O)[C@@H]2CCC([O-])=O
ChEBI Ontology
Outgoing hydrogenobyrinate(6−) (CHEBI:58323) is a precorrin carboxylic acid anion (CHEBI:59140)
hydrogenobyrinate(6−) (CHEBI:58323) is conjugate base of hydrogenobyrinate(4−) (CHEBI:77873)
hydrogenobyrinate(6−) (CHEBI:58323) is conjugate base of hydrogenobyrinic acid (CHEBI:17926)
Incoming hydrogenobyrinate(4−) (CHEBI:77873) is conjugate acid of hydrogenobyrinate(6−) (CHEBI:58323)
hydrogenobyrinic acid (CHEBI:17926) is conjugate acid of hydrogenobyrinate(6−) (CHEBI:58323)
Synonym Source
hydrogenobyrinate hexaanion ChEBI
Last Modified
11 June 2014