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CHEBI:60061 - cobalt-precorrin-4(7−)

ChEBI IDCHEBI:60061
ChEBI Namecobalt-precorrin-4(7−)
Stars
ASCII Namecobalt-precorrin-4(7-)
DefinitionA precorrin carboxylic acid anion obtained by deprotonation of the carboxy groups of cobalt-precorrin-4; major species at pH 7.3.
Last Modified28 July 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC44H43CoN4O16
Net Charge-7
Average Mass942.773
Monoisotopic Mass942.20444
SMILESCC1OC(=O)C[C@@]2(C)[C@H](CCC(=O)[O-])C3=CC4=[N+]5C(=Cc6c(CC(=O)[O-])c(CCC(=O)[O-])c7[n]6[Co-2]56[N]3C12C1=C(CC(=O)[O-])[C@@](C)(CCC(=O)[O-])C(=[N+]16)C7)[C@@H](CCC(=O)[O-])[C@]4(C)CC(=O)[O-]
InChIInChI=1S/C44H51N4O16.Co/c1-20-44-40-25(14-37(59)60)41(2,12-11-35(55)56)30(47-40)16-27-21(5-8-32(49)50)22(13-36(57)58)26(45-27)15-28-23(6-9-33(51)52)42(3,18-38(61)62)31(46-28)17-29(48-44)24(7-10-34(53)54)43(44,4)19-39(63)64-20;/h15,17,20,23-24H,5-14,16,18-19H2,1-4H3,(H8,46,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62);/q-1;+2/p-8/b28-15-;/t20?,23-,24-,41-,42+,43+,44?;/m1./s1
InChIKeyVHHGJROBFDFFAE-QTESGACZSA-F
ChEBI Ontology
Outgoing Relation(s)
cobalt-precorrin-4(7−) (CHEBI:60061) is a precorrin carboxylic acid anion (CHEBI:59140)
cobalt-precorrin-4(7−) (CHEBI:60061) is conjugate base of cobalt-precorrin-4 (CHEBI:3792)
Incoming Relation(s)
cobalt-precorrin-4 (CHEBI:3792) is conjugate acid of cobalt-precorrin-4(7−) (CHEBI:60061)
IUPAC Name 
3,3',3'',3'''-{[(2S,3S,7S,11S,17R)-1-(1-hydroxyethyl)-2,7,12,18-tetrakis(carboxymethyl)-2,7,17-trimethyl-18,19-didehydrocorrin-3,8,13,17-κ4N21,N22,N23,N24]tetrapropanoato(9−)}cobaltate(5−) 11,21-δ-lactone
Synonym  Source
cobalt-precorrin-4 pentaanionChEBI
UniProt Name  Source
Co-precorrin-4UniProt