CHEBI:58323 - hydrogenobyrinate(6−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 No supplier information found for this compound.
Download Molfile XML SDF
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