2-decaprenyl-6-methoxy-3-methyl-1,4-benzoquinone (Q27122228)

2-decaprenyl-6-methoxy-3-methyl-1,4-benzoquinone (English)

6 October 2016

chemical formula

C₅₈H₈₈O₃

1 reference

2-decaprenyl-6-methoxy-3-methyl-1,4-benzoquinone (English)

6 October 2016

canonical SMILES

CC1=C(C(=O)C(=CC1=O)OC)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C

1 reference

2-decaprenyl-6-methoxy-3-methyl-1,4-benzoquinone (English)

6 October 2016

isomeric SMILES

CC1=C(C(=O)C(=CC1=O)OC)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C

1 reference

Recon 2.2: from reconstruction to model of human metabolism

2-decaprenyl-6-methoxy-3-methyl-1,4-benzoquinone (English)

6 October 2016

2 references

stated in

A community-driven global reconstruction of human metabolism.

Identifiers

InChI

InChI=1S/C58H88O3/c1-44(2)23-14-24-45(3)25-15-26-46(4)27-16-28-47(5)29-17-30-48(6)31-18-32-49(7)33-19-34-50(8)35-20-36-51(9)37-21-38-52(10)39-22-40-53(11)41-42-55-54(12)56(59)43-57(61-13)58(55)60/h23,25,27,29,31,33,35,37,39,41,43H,14-22,24,26,28,30,32,34,36,38,40,42H2,1-13H3/b45-25+,46-27+,47-29+,48-31+,49-33+,50-35+,51-37+,52-39+,53-41+

1 reference

2-decaprenyl-6-methoxy-3-methyl-1,4-benzoquinone (English)

DLBRMPAESNEOJM-RGIWONJESA-N

6 October 2016

InChIKey

2 references

2-decaprenyl-6-methoxy-3-methyl-1,4-benzoquinone (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-Decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecaen-1-yl]-5-methoxy-2-methyl-1,4-benzoquinone (English)

6 October 2016

1 reference