3-decaprenyl-4-hydroxy-5-methoxybenzoic acid (Q27122232)

3-decaprenyl-4-hydroxy-5-methoxybenzoic acid (English)

6 October 2016

chemical formula

C₅₈H₈₈O₄

1 reference

3-decaprenyl-4-hydroxy-5-methoxybenzoic acid (English)

6 October 2016

canonical SMILES

CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1=C(C(=CC(=C1)C(=O)O)OC)O)C)C)C)C)C)C)C)C)C)C

1 reference

3-decaprenyl-4-hydroxy-5-methoxybenzoic acid (English)

6 October 2016

isomeric SMILES

CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC1=C(C(=CC(=C1)C(=O)O)OC)O)/C)/C)/C)/C)/C)/C)/C)/C)/C)C

1 reference

Recon 2.2: from reconstruction to model of human metabolism

3-decaprenyl-4-hydroxy-5-methoxybenzoic acid (English)

6 October 2016

2 references

stated in

A community-driven global reconstruction of human metabolism.

1 reference

https://reactome.org/PathwayBrowser/#/R-HSA-1430728&DTAB=MT

Identifiers

InChI

InChI=1S/C58H88O4/c1-44(2)22-13-23-45(3)24-14-25-46(4)26-15-27-47(5)28-16-29-48(6)30-17-31-49(7)32-18-33-50(8)34-19-35-51(9)36-20-37-52(10)38-21-39-53(11)40-41-54-42-55(58(60)61)43-56(62-12)57(54)59/h22,24,26,28,30,32,34,36,38,40,42-43,59H,13-21,23,25,27,29,31,33,35,37,39,41H2,1-12H3,(H,60,61)/b45-24+,46-26+,47-28+,48-30+,49-32+,50-34+,51-36+,52-38+,53-40+

1 reference

3-decaprenyl-4-hydroxy-5-methoxybenzoic acid (English)

WCQCNOIKXGNDLX-RDSVHMIISA-N

6 October 2016

InChIKey

2 references

3-decaprenyl-4-hydroxy-5-methoxybenzoic acid (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]-4-hydroxy-5-methoxybenzoic acid (English)

6 October 2016

1 reference