(Q27089482)

English

4-Hydroxybenzoyl Coenzyme A

chemical compound

Coenzyme A, S-(4-hydroxybenzoate)
4-Hydroxybenzoyl-coa
4-Hydroxybenzoyl-coenzyme A
S-(4-hydroxybenzoyl)-CoA
p-hydroxybenzoyl-CoA
p-hydroxybenzoyl-coenzyme A
4-hydroxybenzoyl CoA
4-Hydroxybenzoyl-CoA

In more languages

Statements

group of stereoisomers

0 references

chemical compound

0 references

887.136353±0 dalton

1 reference

language of work or name

S-{(9R)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~- (English)

19 October 2016

chemical formula

C₂₈H₄₀N₇O₁₈P₃S

1 reference

language of work or name

4-hydroxybenzoyl-CoA (English)

4 October 2016

canonical SMILES

CC(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])C(C(=NCCC(=NCCSC(C4=CC=C(C=C4)O)=O)O)O)(O)[H]

1 reference

language of work or name

4-hydroxybenzoyl-CoA (English)

19 October 2016

isomeric SMILES

CC(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])[C@](C(=NCCC(=NCCSC(C4=CC=C(C=C4)O)=O)O)O)(O)[H]

1 reference

language of work or name

4-hydroxybenzoyl-CoA (English)

19 October 2016

Identifiers

InChI=1S/C28H40N7O18P3S/c1-28(2,22(39)25(40)31-8-7-18(37)30-9-10-57-27(41)15-3-5-16(36)6-4-15)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33-24(19)35/h3-6,13-14,17,20-22,26,36,38-39H,7-12H2,1-2H3,(H,30,37)(H,31,40)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/t17-,20-,21-,22+,26-/m1/s1

1 reference

language of work or name

4-hydroxybenzoyl-CoA (English)

19 October 2016

LTVXPVBFJBTNIJ-TYHXJLICSA-N

2 references

language of work or name

4-hydroxybenzoyl-CoA (English)

19 October 2016

ChEBI release 2020-09-01

CAS Registry Number

2 references

language of work or name

4-hydroxybenzoyl-CoA (English)

19 October 2016

LTVXPVBFJBTNIJ-TYHXJLICSA-N

CAS Common Chemistry

8 April 2021

https://commonchemistry.cas.org/detail?cas_rn=27718-41-8

1 reference

language of work or name

S-{(9R)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~- (English)

19 October 2016

2 references

language of work or name

4-hydroxybenzoyl-CoA (English)

4 October 2016

matched by identifier from

LTVXPVBFJBTNIJ-TYHXJLICSA-N

Reaxys registry number

8399070

1 reference

language of work or name

4-hydroxybenzoyl-CoA (English)

19 October 2016

mapping relation type

3 references

language of work or name

4-hydroxybenzoyl-CoA (English)

19 October 2016

ChEBI release 2019-10-02

matched by identifier from

International Chemical Identifier

InChI=1S/C28H40N7O18P3S/c1-28(2,22(39)25(40)31-8-7-18(37)30-9-10-57-27(41)15-3-5-16(36)6-4-15)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33-24(19)35/h3-6,13-14,17,20-22,26,36,38-39H,7-12H2,1-2H3,(H,30,37)(H,31,40)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/t17-,20-,21-,22+,26-/m1/s1

UniChem compound ID

1 reference

DSSTox substance ID

1 reference

matched by identifier from

LTVXPVBFJBTNIJ-TYHXJLICSA-N

DSSTOX compound identifier

DTXCID901378576

0 references

UM-BBD compound ID

0 references

1 reference

matched by identifier from

LTVXPVBFJBTNIJ-TYHXJLICSA-N

Human Metabolome Database ID

reason for deprecated rank

cannot be confirmed by other sources

0 references

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

LTVXPVBFJBTNIJ-TYHXJLICSA-N

Probes And Drugs ID

0 references

0 references

0 references

PDB structure ID

1 reference

Protein Data Bank

PDB structure ID

language of work or name

1LO9 (English)

19 October 2016

1 reference

Protein Data Bank

PDB structure ID

language of work or name

1NZY (English)

19 October 2016

1 reference

Protein Data Bank

PDB structure ID

language of work or name

1JXZ (English)

19 October 2016

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Multilingual sites(0 entries)

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