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CHEBI:3791 - cobalt-precorrin-3

ChEBI IDCHEBI:3791
ChEBI Namecobalt-precorrin-3
Stars
Last Modified26 October 2012
DownloadsMolfile
FormulaC43H48CoN4O16
Net Charge0
Average Mass935.802
Monoisotopic Mass935.23973
SMILESCC1=C2[N+]3=C(C=C4[N]5C(=CC6=[N+]7C(=C(CCC(=O)O)C6CC(=O)O)Cc6c(CCC(=O)O)c(CC(=O)O)c1[n]6[Co-2]573)[C@@H](CCC(=O)O)[C@]4(C)CC(=O)O)[C@@H](CCC(=O)O)[C@]2(C)CC(=O)O
InChIInChI=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
InChIKeyFKTVLCPLZMVWHD-LPFAUARPSA-M
Roles Classification
Biological Role:
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).
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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 3KEGG COMPOUND
Manual XrefsDatabases
C11539KEGG COMPOUND