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CHEBI:3792 - cobalt-precorrin-4

ChEBI IDCHEBI:3792
ChEBI Namecobalt-precorrin-4
Stars
Last Modified26 October 2012
DownloadsMolfile
FormulaC44H50CoN4O16
Net Charge0
Average Mass949.829
Monoisotopic Mass949.25538
SMILESCC1OC(=O)C[C@@]2(C)[C@H](CCC(=O)O)C3=CC4=[N+]5C(=Cc6c(CC(=O)O)c(CCC(=O)O)c7[n]6[Co-2]56[N]3C12C1=C(CC(=O)O)[C@@](C)(CCC(=O)O)C(=[N+]16)C7)[C@@H](CCC(=O)O)[C@]4(C)CC(=O)O
InChIInChI=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-1/b28-15-;/t20?,23-,24-,41-,42+,43+,44?;/m1./s1
InChIKeyVHHGJROBFDFFAE-QTESGACZSA-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-4 (CHEBI:3792) has functional parent precorrin-4 (CHEBI:16430)
cobalt-precorrin-4 (CHEBI:3792) is a cobalt corrinoid (CHEBI:33906)
cobalt-precorrin-4 (CHEBI:3792) is conjugate acid of cobalt-precorrin-4(7−) (CHEBI:60061)
Incoming Relation(s)
cobalt-precorrin-4(7−) (CHEBI:60061) is conjugate base of cobalt-precorrin-4 (CHEBI:3792)
Synonym  Source
Cobalt-precorrin 4KEGG COMPOUND
Manual XrefsDatabases
C11540KEGG COMPOUND