farnesoyl-CoA (Q27103774)

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chemical compound

3,7,11-trimethyldodeca-2,6,10-trienoyl-coenzyme A
3,7,11-trimethyldodeca-2,6,10-trienoyl-CoA
farnesoyl-coenzyme A

Language	Label	Description	Also known as
English	farnesoyl-CoA	chemical compound	3,7,11-trimethyldodeca-2,6,10-trienoyl-coenzyme A 3,7,11-trimethyldodeca-2,6,10-trienoyl-CoA farnesoyl-coenzyme A

Statements

type of chemical entity

0 references

chemical compound

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985.282288±0 dalton

1 reference

language of work or name

Farnesoyl-CoA (English)

5 October 2016

chemical formula

C₃₆H₅₈N₇O₁₇P₃S

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(C)=CCCC(C)=CCCC(C)=CC(=O)SCCN=C(CCN=C(C(C(C)(C)COP(O)(=O)OP(O)(=O)OCC1(C(C(C(N2C=NC3=C(N)N=CN=C32)(O1)[H])(O)[H])(OP(O)(O)=O)[H])[H])(O)[H])O)O

1 reference

language of work or name

farnesoyl-CoA (English)

5 October 2016

isomeric SMILES

CC(C)=CCCC(C)=CCCC(C)=CC(=O)SCCN=C(CCN=C([C@@](C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([C@]([C@]([C@](N2C=NC3=C(N)N=CN=C32)(O1)[H])(O)[H])(OP(O)(O)=O)[H])[H])(O)[H])O)O

1 reference

language of work or name

farnesoyl-CoA (English)

5 October 2016

Identifiers

InChI=1S/C36H58N7O17P3S/c1-22(2)9-7-10-23(3)11-8-12-24(4)17-27(45)64-16-15-38-26(44)13-14-39-34(48)31(47)36(5,6)19-57-63(54,55)60-62(52,53)56-18-25-30(59-61(49,50)51)29(46)35(58-25)43-21-42-28-32(37)40-20-41-33(28)43/h9,11,17,20-21,25,29-31,35,46-47H,7-8,10,12-16,18-19H2,1-6H3,(H,38,44)(H,39,48)(H,52,53)(H,54,55)(H2,37,40,41)(H2,49,50,51)/t25-,29-,30-,31+,35-/m1/s1

1 reference

language of work or name

farnesoyl-CoA (English)

5 October 2016

JJFLTPJLELNRAZ-VTINEICCSA-N

2 references

language of work or name

farnesoyl-CoA (English)

5 October 2016

ChEBI release 2020-09-01

1 reference

language of work or name

Farnesoyl-CoA (English)

5 October 2016

2 references

26 December 2021

matched by identifier from

JJFLTPJLELNRAZ-VTINEICCSA-N

mapping relation type

3 references

language of work or name

farnesoyl-CoA (English)

5 October 2016

ChEBI release 2019-10-02

matched by identifier from

International Chemical Identifier

InChI=1S/C36H58N7O17P3S/c1-22(2)9-7-10-23(3)11-8-12-24(4)17-27(45)64-16-15-38-26(44)13-14-39-34(48)31(47)36(5,6)19-57-63(54,55)60-62(52,53)56-18-25-30(59-61(49,50)51)29(46)35(58-25)43-21-42-28-32(37)40-20-41-33(28)43/h9,11,17,20-21,25,29-31,35,46-47H,7-8,10,12-16,18-19H2,1-6H3,(H,38,44)(H,39,48)(H,52,53)(H,54,55)(H2,37,40,41)(H2,49,50,51)/t25-,29-,30-,31+,35-/m1/s1

UniChem compound ID

1 reference

0 references

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