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CHEBI:60060 - cobalt-precorrin-3(8−)

ChEBI IDCHEBI:60060
ChEBI Namecobalt-precorrin-3(8−)
Stars
ASCII Namecobalt-precorrin-3(8-)
DefinitionA precorrin carboxylic acid anion obtained by deprotonation of the carboxy groups of cobalt-precorrin-3; major species at pH 7.3.
Last Modified28 July 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC43H40CoN4O16
Net Charge-8
Average Mass927.738
Monoisotopic Mass927.18151
SMILESCC1=C2[N+]3=C(C=C4[N]5C(=CC6=[N+]7C(=C(CCC(=O)[O-])C6CC(=O)[O-])Cc6c(CCC(=O)[O-])c(CC(=O)[O-])c1[n]6[Co-2]573)[C@@H](CCC(=O)[O-])[C@]4(C)CC(=O)[O-])[C@@H](CCC(=O)[O-])[C@]2(C)CC(=O)[O-]
InChIInChI=1S/C43H49N4O16.Co/c1-19-40-23(13-37(58)59)21(5-9-33(50)51)27(46-40)14-26-20(4-8-32(48)49)22(12-36(56)57)28(44-26)15-29-24(6-10-34(52)53)42(2,17-38(60)61)31(45-29)16-30-25(7-11-35(54)55)43(3,18-39(62)63)41(19)47-30;/h15-16,22,24-25H,4-14,17-18H2,1-3H3,(H9,44,45,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q-1;+2/p-9/b41-19-;/t22?,24-,25-,42+,43+;/m1./s1
InChIKeyFKTVLCPLZMVWHD-LPFAUARPSA-E
ChEBI Ontology
Outgoing Relation(s)
cobalt-precorrin-3(8−) (CHEBI:60060) is a precorrin carboxylic acid anion (CHEBI:59140)
cobalt-precorrin-3(8−) (CHEBI:60060) is conjugate base of cobalt-precorrin-3 (CHEBI:3791)
Incoming Relation(s)
cobalt-precorrin-3 (CHEBI:3791) is conjugate acid of cobalt-precorrin-3(8−) (CHEBI:60060)
IUPAC Name 
{3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13,15-trimethyl-3,7,8,12,13,20-hexahydroporphyrin-2,7,12,18-tetrayl-κ4N21,N22,N23,N24]tetrapropanoato(10-)}cobaltate(6−)
UniProt Name  Source
Co-precorrin-3UniProt