CHEBI:60061 - cobalt-precorrin-4(7−)

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ChEBI Name cobalt-precorrin-4(7−)
ChEBI ID CHEBI:60061
ChEBI ASCII Name cobalt-precorrin-4(7-)
Definition A precorrin carboxylic acid anion obtained by deprotonation of the carboxy groups of cobalt-precorrin-4; 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 C44H43CoN4O16
Net Charge -7
Average Mass 942.76260
Monoisotopic Mass 942.20444
InChI InChI=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
InChIKey VHHGJROBFDFFAE-QTESGACZSA-F
SMILES CC1OC(=O)C[C@@]2(C)[C@H](CCC([O-])=O)C3=CC4=[N+]5C(=Cc6c(CC([O-])=O)c(CCC([O-])=O)c7CC8=[N+]9C(=C(CC([O-])=O)[C@@]8(C)CCC([O-])=O)C12N3[Co--]59n67)[C@@H](CCC([O-])=O)[C@]4(C)CC([O-])=O
ChEBI Ontology
Outgoing 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 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
Synonyms Sources
Co-precorrin-4 UniProt
cobalt-precorrin-4 pentaanion ChEBI
Last Modified
28 July 2017