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CHEBI:60053 - cobalt-precorrin-2(8−)

ChEBI IDCHEBI:60053
ChEBI Namecobalt-precorrin-2(8−)
Stars
ASCII Namecobalt-precorrin-2(8-)
DefinitionA precorrin carboxylic acid anion obtained by deprotonation of the carboxy groups of cobalt-precorrin-2; major species at pH 7.3.
Last Modified28 July 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC42H38CoN4O16
Net Charge-8
Average Mass913.711
Monoisotopic Mass913.16586
SMILESC[C@@]1(CC(=O)[O-])C2=CC3=[N+]4C(=Cc5c(CC(=O)[O-])c(CCC(=O)[O-])c6[n]5[Co-2]45[N]2C(=CC2=[N+]5C(=C(CCC(=O)[O-])C2CC(=O)[O-])C6)[C@H]1CCC(=O)[O-])[C@@](C)(CC(=O)[O-])[C@@H]3CCC(=O)[O-]
InChIInChI=1S/C42H47N4O16.Co/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29;/h14-16,21,23-24H,3-13,17-18H2,1-2H3,(H9,43,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62);/q-1;+2/p-9/b31-15-;/t21?,23-,24-,41+,42+;/m1./s1
InChIKeyBKIWSQUNFCJSOI-HZUOBFSFSA-E
ChEBI Ontology
Outgoing Relation(s)
cobalt-precorrin-2(8−) (CHEBI:60053) is a precorrin carboxylic acid anion (CHEBI:59140)
cobalt-precorrin-2(8−) (CHEBI:60053) is conjugate base of cobalt-precorrin-2 (CHEBI:3790)
Incoming Relation(s)
cobalt-precorrin-2 (CHEBI:3790) is conjugate acid of cobalt-precorrin-2(8−) (CHEBI:60053)
IUPAC Name 
{3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-3,7,8,12,13,20-hexahydroporphyrin-2,7,12,18-tetrayl-κ4N21,N22,N23,N24]tetrapropanoato(10−)}cobaltate(6−)
Synonym  Source
cobalt-precorrin-2 hexaanionChEBI
UniProt Name  Source
Co-precorrin-2UniProt
Manual XrefsDatabases
CPD-9039MetaCyc