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Substance Name: Hydrogenobyrinic acid
RN: 23599-55-5
InChIKey: ALLJLLMNGBKZLT-XJSPLSMOSA-N

Molecular Weight

  • 880.983
 
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Names and Synonyms

Name of Substance

  • Hydrogenobyrinic acid

Systematic Name

  • Hydrogenobyrinic acid

Registry Numbers

CAS Registry Number

  • 23599-55-5

System Generated Number

  • 0023599555

Structure Descriptors

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/h18,23-26,40,48H,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)/b28-18-,38-21-,39-22-

InChIKey

ALLJLLMNGBKZLT-XJSPLSMOSA-N

Smiles

C([C@@]1(C)C=2N=C([C@@H]1CCC(O)=O)C=C1C([C@@H](CCC(O)=O)C(C(=C3N[C@@H]([C@@H]([C@@]3(C)CCC(O)=O)CC(=O)O)[C@@]3(N=C(C2C)[C@@H](CCC(O)=O)[C@@]3(CC(=O)O)C)C)C)=N1)(C)C)C(=O)O