(Q27147480)

English

precorrin-6A(7-)

chemical compound

In more languages

Statements

type of chemical entity

0 references

chemical compound

0 references

precorrin-6A reductase activity

1 reference

Gene Ontology release 2020-05-02

Rhea release 113

precorrin-6A synthase (deacetylating) activity

1 reference

Gene Ontology release 2020-05-02

Rhea release 113

887.3025464833698 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₄H₄₇N₄O₁₆⁷⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC12CC3=C(C(C(=[NH+]3)C=C4C(C(C(N4)(C5=C(C(C(=N5)CC(=N1)C(=C2CC(=O)[O-])CCC(=O)[O-])(C)CCC(=O)[O-])CC(=O)[O-])C)(C)CC(=O)[O-])CCC(=O)[O-])(C)CC(=O)[O-])CCC(=O)[O-]

1 reference

language of work or name

precorrin-6A (English)

8 October 2016

isomeric SMILES

C[C@@]12CC3=C([C@](C(=[NH+]3)/C=C\4/[C@H]([C@]([C@@](N4)(C5=C([C@@](C(=N5)CC(=N1)C(=C2CC(=O)[O-])CCC(=O)[O-])(C)CCC(=O)[O-])CC(=O)[O-])C)(C)CC(=O)[O-])CCC(=O)[O-])(C)CC(=O)[O-])CCC(=O)[O-]

1 reference

language of work or name

precorrin-6A (English)

8 October 2016

Identifiers

InChI=1S/C44H54N4O16/c1-40(13-12-34(55)56)25(15-36(59)60)39-44(5)42(3,20-38(63)64)23(8-11-33(53)54)27(48-44)17-30-41(2,19-37(61)62)22(7-10-32(51)52)28(45-30)18-43(4)24(14-35(57)58)21(6-9-31(49)50)26(47-43)16-29(40)46-39/h17,23,48H,6-16,18-20H2,1-5H3,(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)/p-7/b27-17-/t23-,40-,41+,42+,43+,44+/m1/s1

1 reference

language of work or name

precorrin-6A (English)

8 October 2016

SOHWQLUTRKYCGZ-YTMGQXKNSA-G

2 references

language of work or name

precorrin-6A (English)

8 October 2016

ChEBI release 2020-09-01

2 references

language of work or name

precorrin-6A (English)

8 October 2016

matched by identifier from

SOHWQLUTRKYCGZ-YTMGQXKNSA-G

mapping relation type

2 references

language of work or name

precorrin-6A(7-) (English)

8 October 2016

matched by identifier from

International Chemical Identifier

InChI=1S/C44H54N4O16/c1-40(13-12-34(55)56)25(15-36(59)60)39-44(5)42(3,20-38(63)64)23(8-11-33(53)54)27(48-44)17-30-41(2,19-37(61)62)22(7-10-32(51)52)28(45-30)18-43(4)24(14-35(57)58)21(6-9-31(49)50)26(47-43)16-29(40)46-39/h17,23,48H,6-16,18-20H2,1-5H3,(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)/p-7/b27-17-/t23-,40-,41+,42+,43+,44+/m1/s1

UniChem compound ID

1 reference

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