COJ

HYDROGENOBYRINIC ACID


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Chemical Component Summary

NameHYDROGENOBYRINIC ACID
FormulaC45 H60 N4 O14
Molecular Weight880.976
TypeNON-POLYMER
Isomeric SMILESC/C/1=C/2\[C@H]([C@]([C@@](N2)([C@H]3[C@@H]([C@@](C(=N3)/C(=C\4/[C@@H](C(C(=N4)\C=C/5\[C@H]([C@](C1=N5)(C)CC(=O)O)CCC(=O)O)(C)C)CCC(=O)O)/C)(C)CCC(=O)O)CC(=O)O)C)(C)CC(=O)O)CCC(=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)/b27-18-,36-21-,37-22-/t23-,24+,25-,26+,40-,42-,43+,44+,45+/m1/s1
InChIKeyMYMATQFDUQLSCD-ZPZWDRINSA-N

Chemical Details

Formal Charge0
Atom Count123
Chiral Atom Count9
Bond Count127
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB02460 
NameHydrogenobyrinic acid
Groups experimental
Synonyms
  • Hydrogenobyrinsäure
  • Hydrogenobyrinate
  • Hydrogenobyrinic acid
Categories
  • Biological Factors
  • Heterocyclic Compounds, Fused-Ring
  • Pigments, Biological
  • Porphyrins
CAS number23599-55-5

Drug Targets

NameTarget SequencePharmacological ActionActions
Precorrin-8X methylmutaseMPEYDYIRDGNAIYERSFAIIRAEADLSRFSEEEADLAVRMVHACGSVEA...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682