Cobyrinic acid
CAS Registry Number®
33593-50-9
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CAS Name
Cobyrinic acidMolecular Formula
C45H59CoN4O14Cite this Page
Cobyrinic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=33593-50-9 (retrieved ) (CAS RN: 33593-50-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C45H60N4O14.Co/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;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H8,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+3/p-1
InChIKey
InChIKey=SXATWJGWOIKDIW-UHFFFAOYSA-M
SMILES
CC12[N]=3[Co+3]45[N-]6C1C(CC(O)=O)C(CCC(O)=O)(C)C6=C(C)C7=[N]4C(=CC8=[N]5C(=C(C)C3C(CCC(O)=O)C2(CC(O)=O)C)C(CC(O)=O)(C)C8CCC(O)=O)C(C)(C)C7CCC(O)=O
Canonical SMILES
O=C(O)CCC1C=2C=C3[N]4=C(C(=C5[N-]6C(C(CC(=O)O)C5(C)CCC(=O)O)C7([N]8=C(C(=C([N]2[Co+3]486)C1(C)CC(=O)O)C)C(CCC(=O)O)C7(C)CC(=O)O)C)C)C(CCC(=O)O)C3(C)C
Other Names for this Substance
- Cobyrinic acid
- Cobalt(2+), [2,7,18-tris(carboxymethyl)-1,2,5,7,12,12,15,17-octamethyl-3,8,13,17-corrintetrapropanoato(1-)-N21,N22,N23,N24]-
- [2,7,18-Tris(carboxymethyl)-1,2,5,7,12,12,15,17-octamethyl-3,8,13,17-corrintetrapropanoato(1-)-N21,N22,N23,N24]cobalt(2+)
