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Substance Name: Cobyric acid
RN: 14708-92-0
InChIKey: BORCAUPXFYNHHW-UHFFFAOYSA-M

Molecular Formula

  • C45-H65-Co-N10-O8

Molecular Weight

  • 933.003
 
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Names and Synonyms

Name of Substance

  • Cobyric acid

Synonym

  • Diaquacobyric acid

Systematic Name

  • Cobyrinic acid-abcdeg-hexamide

Registry Numbers

CAS Registry Number

  • 14708-92-0

System Generated Number

  • 0014708920

Structure Descriptors

InChI

1S/C45H66N10O8.Co/c1-21-36-24(10-13-30(47)57)41(3,4)28(53-36)18-27-23(9-12-29(46)56)43(6,19-33(50)60)39(52-27)22(2)37-25(11-14-31(48)58)44(7,20-34(51)61)45(8,55-37)40-26(17-32(49)59)42(5,38(21)54-40)16-15-35(62)63;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H14,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+3/p-1

InChIKey

BORCAUPXFYNHHW-UHFFFAOYSA-M

Smiles

[Co+3].OC(CC[C@@]1(C2=C(C3=NC(=CC4=NC([C@@]([C@@H]4CCC(=O)N)(CC(N)=O)C)=C(C=4[C@@H]([C@@]([C@@](N4)([C@@H]([N-]2)[C@@H]1CC(N)=O)C)(CC(N)=O)C)CCC(N)=O)C)C([C@@H]3CCC(N)=O)(C)C)C)C)=O