cobalt-precorrin-2 (Q27106192)

{3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-Tetrakis(carboxymethyl)-8,13-dimethyl-3,7,8,12,13,20-hexahydroporphyrin-2,7,12,18-tetrayl-kappa~4~N~21~,N~22~,N~23~,N~24~]tetrapropanoato(2-)}cobalt (English)

retrieved

5 October 2016

chemical formula

C₄₂H₄₆CoN₄O₁₆

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC1(CC(=O)O)C(CCC(=O)O)(C=2C=C3C(CC(=O)O)(C(CCC(=O)O)=C(CC4=C(CCC(=O)O)C(CC(=O)O)=C(C(=C5C(C)(CC(=O)O)C(CCC(=O)O)(C(C=C1N2)=N5)[H])[H])[N-]4)[N-]3)[H])[H].[Co+2]

1 reference

language of work or name

English

title

cobalt-precorrin-2 (English)

retrieved

5 October 2016

isomeric SMILES

C[C@]1(CC(=O)O)[C@](CCC(=O)O)(C=2C=C3C(CC(=O)O)(C(CCC(=O)O)=C(CC4=C(CCC(=O)O)C(CC(=O)O)=C(\C(=C/5\[C@@](C)(CC(=O)O)[C@](CCC(=O)O)(C(C=C1N2)=N5)[H])\[H])[N-]4)[N-]3)[H])[H].[Co+2]

1 reference

language of work or name

English

title

cobalt-precorrin-2 (English)

retrieved

5 October 2016

Identifiers

InChI

InChI=1S/C42H47N4O16.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;/h14-16,21,23-24H,3-13,17-18H2,1-2H3,(H9,43,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62);/q-1;+2/p-1/b31-15-;/t21?,23-,24-,41+,42+;/m1./s1

1 reference

language of work or name

English

title

cobalt-precorrin-2 (English)

retrieved

5 October 2016

InChIKey

BKIWSQUNFCJSOI-HZUOBFSFSA-M

2 references

language of work or name

English

title

cobalt-precorrin-2 (English)

retrieved

5 October 2016

stated in

ChEBI release 2020-09-01

1 reference

language of work or name

English

title

{3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-Tetrakis(carboxymethyl)-8,13-dimethyl-3,7,8,12,13,20-hexahydroporphyrin-2,7,12,18-tetrayl-kappa~4~N~21~,N~22~,N~23~,N~24~]tetrapropanoato(2-)}cobalt (English)

5 October 2016

2 references

26 December 2021

matched by identifier from