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CHEBI:73299 - cobalt(II)-factor III(8−)

ChEBI IDCHEBI:73299
ChEBI Namecobalt(II)-factor III(8−)
Stars
ASCII Namecobalt(II)-factor III(8-)
DefinitionA precorrin carboxylic acid anion obtained by deprotonation of the carboxy groups of cobalt(II)-factor III; major species at pH 7.3.
Last Modified28 July 2017
SubmitterKAX
DownloadsMolfile
FormulaC43H38CoN4O16
Net Charge-8
Average Mass925.722
Monoisotopic Mass925.16586
SMILESCC1=C2[N+]3=C(C=C4[N]5C(=CC6=[N+]7C(=Cc8c(CCC(=O)[O-])c(CC(=O)[O-])c1[n]8[Co-2]573)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-]
InChIInChI=1S/C43H48N4O16.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;/h14-16,24-25H,4-13,17-18H2,1-3H3,(H10,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+2/p-10/t24-,25-,42+,43+;/m1./s1
InChIKeyRQHZZQLPDALGEQ-CYGMIEPJSA-D
ChEBI Ontology
Outgoing Relation(s)
cobalt(II)-factor III(8−) (CHEBI:73299) is a precorrin carboxylic acid anion (CHEBI:59140)
cobalt(II)-factor III(8−) (CHEBI:73299) is conjugate base of cobalt(II)-factor III (CHEBI:73373)
Incoming Relation(s)
cobalt(II)-factor III (CHEBI:73373) is conjugate acid of cobalt(II)-factor III(8−) (CHEBI:73299)
IUPAC Name 
{3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13,15-trimethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrayl-κ4N21,N22,N23,N24]tetrapropanoato(10−)}cobaltate(8−)
UniProt Name  Source
Co(II)-factor IIIUniProt
Manual XrefsDatabases
COBALT-FACTOR-IIIMetaCyc
Citations