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
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
Submitter Remark
2010-08-12 21:19:24.0 Kristian Axelsen MetaCyc link:CPD-9039