CHEBI:77874 - hydrogenobyrinic acid a,c-diamide(2−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name hydrogenobyrinic acid a,c-diamide(2−)
ChEBI ID CHEBI:77874
ChEBI ASCII Name hydrogenobyrinic acid a,c-diamide(2-)
Definition A precorrin carboxylic acid anion that is the dianionic form of hydrogenobyrinic acid a,c-diamide. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C45H60N6O12
Net Charge -2
Average Mass 876.99200
Monoisotopic Mass 876.42802
InChI InChI=1S/C45H62N6O12/c1-21-36-24(10-13-32(56)57)41(3,4)28(49-36)18-27-23(9-12-31(54)55)43(6,19-29(46)52)39(48-27)22(2)37-25(11-14-33(58)59)44(7,20-30(47)53)45(8,51-37)40-26(17-35(62)63)42(5,38(21)50-40)16-15-34(60)61/h18,23-26,40,51H,9-17,19-20H2,1-8H3,(H2,46,52)(H2,47,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)/p-2/b27-18-,36-21-,37-22-/t23-,24-,25-,26+,40-,42-,43+,44+,45+/m1/s1
InChIKey JJMDOVLPFPOLFZ-IPUCCYEASA-L
SMILES C\C1=C2\N[C@@](C)([C@@H]3[NH+]=C(\C(C)=C4/[NH+]=C(/C=C5\[NH+]=C1[C@@](C)(CC(N)=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(N)=O)[C@@H]2CCC([O-])=O
ChEBI Ontology
Outgoing hydrogenobyrinic acid a,c-diamide(2−) (CHEBI:77874) is a precorrin carboxylic acid anion (CHEBI:59140)
hydrogenobyrinic acid a,c-diamide(2−) (CHEBI:77874) is conjugate acid of hydrogenobyrinic acid a,c-diamide(4−) (CHEBI:58536)
hydrogenobyrinic acid a,c-diamide(2−) (CHEBI:77874) is conjugate base of hydrogenobyrinic acid a,c-diamide (CHEBI:27914)
Incoming hydrogenobyrinic acid a,c-diamide (CHEBI:27914) is conjugate acid of hydrogenobyrinic acid a,c-diamide(2−) (CHEBI:77874)
hydrogenobyrinic acid a,c-diamide(4−) (CHEBI:58536) is conjugate base of hydrogenobyrinic acid a,c-diamide(2−) (CHEBI:77874)
Synonym Source
hydrogenobyrinate a,c-diamide UniProt
Last Modified
11 June 2014