CHEBI:60053 - cobalt-precorrin-2(8−)

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ChEBI Name cobalt-precorrin-2(8−)
ChEBI ID CHEBI:60053
ChEBI ASCII Name cobalt-precorrin-2(8-)
Definition A precorrin carboxylic acid anion obtained by deprotonation of the carboxy groups of cobalt-precorrin-2; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C42H38CoN4O16
Net Charge -8
Average Mass 913.70150
Monoisotopic Mass 913.16586
InChI InChI=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
InChIKey BKIWSQUNFCJSOI-HZUOBFSFSA-E
SMILES C[C@]1(CC([O-])=O)[C@H](CCC([O-])=O)C2=CC3=[N+]4C(Cc5c(CCC([O-])=O)c(CC([O-])=O)c6C=C7[N+]8=C(C=C1N2[Co--]48n56)[C@@H](CCC([O-])=O)[C@]7(C)CC([O-])=O)=C(CCC([O-])=O)C3CC([O-])=O
ChEBI Ontology
Outgoing 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 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−)
Synonyms Sources
Co-precorrin-2 UniProt
cobalt-precorrin-2 hexaanion ChEBI
Manual Xref Database
CPD-9039 MetaCyc
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Last Modified
28 July 2017