CHEBI:3791 - cobalt-precorrin-3

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ChEBI Name cobalt-precorrin-3
ChEBI ID CHEBI:3791
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB7388480, eMolecules:484930, ZINC000000895042
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Formula C43H48CoN4O16
Net Charge 0
Average Mass 935.79160
Monoisotopic Mass 935.23973
InChI InChI=1S/C43H49N4O16.Co/c1-19-40-23(13-37(58)59)21(5-9-33(50)51)27(46-40)14-26-20(4-8-32(48)49)22(12-36(56)57)28(44-26)15-29-24(6-10-34(52)53)42(2,17-38(60)61)31(45-29)16-30-25(7-11-35(54)55)43(3,18-39(62)63)41(19)47-30;/h15-16,22,24-25H,4-14,17-18H2,1-3H3,(H9,44,45,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q-1;+2/p-1/b41-19-;/t22?,24-,25-,42+,43+;/m1./s1
InChIKey FKTVLCPLZMVWHD-LPFAUARPSA-M
SMILES CC1=C2[N+]3=C(C=C4N5C(=CC6=[N+]7C(Cc8c(CCC(O)=O)c(CC(O)=O)c1n8[Co--]357)=C(CCC(O)=O)C6CC(O)=O)[C@@H](CCC(O)=O)[C@]4(C)CC(O)=O)[C@@H](CCC(O)=O)[C@]2(C)CC(O)=O
Roles Classification
Biological Role(s): cofactor
An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group).
(via porphyrins )
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ChEBI Ontology
Outgoing cobalt-precorrin-3 (CHEBI:3791) is a metalloporphyrin (CHEBI:25216)
cobalt-precorrin-3 (CHEBI:3791) is conjugate acid of cobalt-precorrin-3(8−) (CHEBI:60060)
Incoming cobalt-precorrin-3(8−) (CHEBI:60060) is conjugate base of cobalt-precorrin-3 (CHEBI:3791)
IUPAC Name
{3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13,15-trimethyl-3,7,8,12,13,20-hexahydroporphyrin-2,7,12,18-tetrayl-κ4N21,N22,N23,N24]tetrapropanoato(2-)}cobalt
Synonym Source
Cobalt-precorrin 3 KEGG COMPOUND
Manual Xref Database
C11539 KEGG COMPOUND
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Last Modified
26 October 2012