(Q28529714)

English

ubiquinol-10

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

biogenic alkylphenol

0 references

part of

3-demethylubiquinol-10 3-O-methyltransferase activity

1 reference

reference URL

http://geneontology.org/external2go/rhea2go

retrieved

1 February 2021

mass

864.699561424 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₅₉H₉₂O₄

0 references

canonical SMILES

CC1=C(C(=C(C(=C1O)OC)OC)O)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

0 references

isomeric SMILES

COc1c(O)c(C)c(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)c(O)c1OC

1 reference

1 reference

Recon 2.2: from reconstruction to model of human metabolism

1 reference

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

Identifiers

InChI

InChI=1S/C59H92O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-19-33-49(7)34-20-35-50(8)36-21-37-51(9)38-22-39-52(10)40-23-41-53(11)42-43-55-54(12)56(60)58(62-13)59(63-14)57(55)61/h24,26,28,30,32,34,36,38,40,42,60-61H,15-23,25,27,29,31,33,35,37,39,41,43H2,1-14H3/b45-26+,46-28+,47-30+,48-32+,49-34+,50-36+,51-38+,52-40+,53-42+

0 references

InChIKey

QNTNKSLOFHEFPK-UPTCCGCDSA-N

1 reference

stated in

ChEBI release 2020-09-01

CAS Registry Number

992-78-9

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

retrieved

25 January 2022

PubChem CID

9962735

1 reference

matched by identifier from

InChIKey

QNTNKSLOFHEFPK-UPTCCGCDSA-N

ChEBI ID

64183

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C59H92O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-19-33-49(7)34-20-35-50(8)36-21-37-51(9)38-22-39-52(10)40-23-41-53(11)42-43-55-54(12)56(60)58(62-13)59(63-14)57(55)61/h24,26,28,30,32,34,36,38,40,42,60-61H,15-23,25,27,29,31,33,35,37,39,41,43H2,1-14H3/b45-26+,46-28+,47-30+,48-32+,49-34+,50-36+,51-38+,52-40+,53-42+

1 reference

1 reference

matched by identifier from

InChIKey

QNTNKSLOFHEFPK-UPTCCGCDSA-N

DrugBank ID

DB11340

1 reference

matched by identifier from

InChIKey

QNTNKSLOFHEFPK-UPTCCGCDSA-N

Human Metabolome Database ID

HMDB0013111

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

QNTNKSLOFHEFPK-UPTCCGCDSA-N

UNII

M9NL0C577Y

1 reference

matched by identifier from

InChIKey

QNTNKSLOFHEFPK-UPTCCGCDSA-N

Probes And Drugs ID

PD060966

0 references

(Q28529714)

ubiquinol-10

Statements

Identifiers

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