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CHEBI:60049 - cobalt-sirohydrochlorin(8−)

ChEBI IDCHEBI:60049
ChEBI Namecobalt-sirohydrochlorin(8−)
Stars
ASCII Namecobalt-sirohydrochlorin(8-)
DefinitionA cyclic tetrapyrrole anion obtained by deprotonation of the carboxy groups of cobalt-sirohydrochlorin; major species at pH 7.3.
Last Modified28 July 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC42H36CoN4O16
Net Charge-8
Average Mass911.695
Monoisotopic Mass911.15021
SMILESC[C@@]1(CC(=O)[O-])C2=CC3=[N+]4C(=Cc5c(CC(=O)[O-])c(CCC(=O)[O-])c6[n]5[Co-2]45[N]2C(=CC2=[N+]5C(=C6)C(CCC(=O)[O-])=C2CC(=O)[O-])[C@H]1CCC(=O)[O-])[C@@](C)(CC(=O)[O-])[C@@H]3CCC(=O)[O-]
InChIInChI=1S/C42H46N4O16.Co/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29;/h13-16,23-24H,3-12,17-18H2,1-2H3,(H10,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62);/q;+2/p-10/t23-,24-,41+,42+;/m1./s1
InChIKeyXZMXJYDTAININL-QIISWYHFSA-D
ChEBI Ontology
Outgoing Relation(s)
cobalt-sirohydrochlorin(8−) (CHEBI:60049) is a cyclic tetrapyrrole anion (CHEBI:58941)
cobalt-sirohydrochlorin(8−) (CHEBI:60049) is conjugate base of cobalt-sirohydrochlorin (CHEBI:52491)
Incoming Relation(s)
cobalt-sirohydrochlorin (CHEBI:52491) is conjugate acid of cobalt-sirohydrochlorin(8−) (CHEBI:60049)
IUPAC Name 
{3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrayl-κ4N21,N22,N23,N24]tetrapropanoato(10−)}cobalt(6−)
Synonym  Source
cobalt-sirohydrochlorin hexaanionChEBI
UniProt Name  Source
Co-sirohydrochlorinUniProt