(Q27125831)

English

adenosylcob(III)yrinate a,c-diamide(4-)

chemical compound

In more languages

Statements

type of chemical entity

0 references

chemical compound

0 references

adenosylcobyric acid synthase (glutamine-hydrolyzing) activity

1 reference

Gene Ontology release 2020-05-02

Rhea release 113

1,181.425049±0 dalton

1 reference

language of work or name

adenosylcob(III)yrinate a,c-diamide(4-) (English)

6 October 2016

chemical formula

C₅₅H₆₈CoN₁₁O₁₅⁴⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC1=C2C(CCC(=O)[O-])(C(C)(C)C(C=C3C(CCC(=O)[O-])(C(C)(CC([NH-])=O)C(C(C)=C4C(CCC(=O)[O-])(C(C)(CC(=N)[O-])C(C)(C5(C(CC(=O)O)(C(C)(CCC(=O)[O-])C1=N5)[H])[H])N4)[H])=N3)[H])=N2)[H].[CH2]C1(C(C(C(N2C=NC3=C(N)N=CN=C32)(O1)[H])(O)[H])(O)[H])[H].[Co+2]

1 reference

language of work or name

adenosylcob(III)yrinate a,c-diamide(4-) (English)

6 October 2016

isomeric SMILES

CC1=C2[C@@](CCC(=O)[O-])(C(C)(C)C(C=C3[C@@](CCC(=O)[O-])([C@](C)(CC([NH-])=O)C(C(C)=C4[C@@](CCC(=O)[O-])([C@](C)(CC(=N)[O-])[C@](C)([C@]5([C@](CC(=O)O)([C@@](C)(CCC(=O)[O-])C1=N5)[H])[H])N4)[H])=N3)[H])=N2)[H].[CH2][C@@]1([C@]([C@]([C@](N2C=NC3=C(N)N=CN=C32)(O1)[H])(O)[H])(O)[H])[H].[Co+2]

1 reference

language of work or name

adenosylcob(III)yrinate a,c-diamide(4-) (English)

6 October 2016

Identifiers

InChI=1S/C45H62N6O12.C10H12N5O3.Co/c1-21-36-24(10-13-32(56)57)41(3,4)28(49-36)18-27-23(9-12-31(54)55)43(6,19-29(46)52)39(48-27)22(2)37-25(11-14-33(58)59)44(7,20-30(47)53)45(8,51-37)40-26(17-35(62)63)42(5,38(21)50-40)16-15-34(60)61;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H10,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-6/t23-,24-,25-,26+,40-,42-,43+,44+,45+;4-,6-,7-,10-;/m11./s1

1 reference

based on heuristic

inferred from SMILES

OCNLJCZKGHKJGF-NQYRMHKHSA-H

2 references

language of work or name

adenosylcob(III)yrinate a,c-diamide(4-) (English)

6 October 2016

ChEBI release 2020-09-01

1 reference

language of work or name

adenosylcob(III)yrinate a,c-diamide(4-) (English)

6 October 2016

mapping relation type

1 reference

language of work or name

adenosylcob(III)yrinate a,c-diamide(4-) (English)

6 October 2016

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