octadecane-1,18-dioic acid (Q27288272)

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chemical compound

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Language	Label	Description	Also known as
English	octadecane-1,18-dioic acid	chemical compound

Statements

instance of

type of chemical entity

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subclass of

fatty acid

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dicarboxylic acid

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suberinic acid

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chemical structure

Octadecane-1,18-dioic acid.svg
1,280 × 240; 12 KB

0 references

mass

314.246±0 dalton

1 reference

stated in

PubChem

PubChem CID

70095

language of work or name

English

title

Octadecanedioic acid (English)

retrieved

14 October 2016

chemical formula

C₁₈H₃₄O₄

1 reference

stated in

PubChem

PubChem CID

70095

language of work or name

English

title

Octadecanedioic acid (English)

retrieved

14 October 2016

canonical SMILES

C(CCCCCCCCC(=O)O)CCCCCCCC(=O)O

1 reference

stated in

PubChem

PubChem CID

70095

language of work or name

English

title

Octadecanedioic acid (English)

retrieved

14 October 2016

found in taxon

Pinus radiata

1 reference

stated in

Constituent acids of Pinus radiata stem cutin

Arabidopsis thaliana

1 reference

stated in

The lipid polyester composition of Arabidopsis thaliana and Brassica napus seeds

Identifiers

InChI

InChI=1S/C18H34O4/c19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22/h1-16H2,(H,19,20)(H,21,22)

1 reference

stated in

PubChem

PubChem CID

70095

language of work or name

English

title

Octadecanedioic acid (English)

retrieved

14 October 2016

InChIKey

BNJOQKFENDDGSC-UHFFFAOYSA-N

2 references

stated in

PubChem

PubChem CID

70095

language of work or name

English

title

Octadecanedioic acid (English)

retrieved

14 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

871-70-5

2 references

stated in

Global Substance Registration System

UNII

RSZ6PQ0QQJ

language of work or name

English

title

octadecane-1,18-dioic acid (English)

retrieved

14 October 2016

InChIKey

BNJOQKFENDDGSC-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

9 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=871-70-5

ChemSpider ID

63283

1 reference

stated in

ChemSpider

ChemSpider ID

63283

language of work or name

English

title

Octadecanedioic acid (English)

retrieved

14 October 2016

PubChem CID

70095

2 references

stated in

PubChem

PubChem CID

70095

language of work or name

English

title

Octadecanedioic acid (English)

retrieved

14 October 2016

matched by identifier from

InChIKey

InChIKey

BNJOQKFENDDGSC-UHFFFAOYSA-N

ChEBI ID

133086

mapping relation type

exact match

2 references

stated in

ChEBI release 2019-10-02

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C18H34O4/c19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22/h1-16H2,(H,19,20)(H,21,22)

SureChEMBL ID

SCHEMBL35775

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

BNJOQKFENDDGSC-UHFFFAOYSA-N

UniChem compound ID

22779221

1 reference

stated in

UniChem

SPLASH

splash10-000i-0009000000-529e4d738cfcd073856c

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splash10-03di-0009000000-a2515d8c7963934e2a46

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splash10-053r-9031000000-710cc2000cff7ec1da49

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splash10-0udi-0090000000-34f70f1f293855bd0974

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DSSTox substance ID

DTXSID1074331

2 references

stated in

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

matched by identifier from

InChIKey

InChIKey

BNJOQKFENDDGSC-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID9048564

0 references

EC number

617-978-5

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.114.807

retrieved

27 December 2018

title

octadecanedioic acid (English)

quotation

CAS no.: 871-70-5 (English)

ECHA Substance Infocard ID

100.114.807

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.114.807

retrieved

27 December 2018

title

octadecanedioic acid (English)

quotation

CAS no.: 871-70-5 (English)

Human Metabolome Database ID

HMDB0000782

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

BNJOQKFENDDGSC-UHFFFAOYSA-N

KNApSAcK ID

C00063248

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

BNJOQKFENDDGSC-UHFFFAOYSA-N

UNII

RSZ6PQ0QQJ

2 references

stated in

Global Substance Registration System

UNII

RSZ6PQ0QQJ

language of work or name

English

title

octadecane-1,18-dioic acid (English)

retrieved

14 October 2016

matched by identifier from

InChIKey

InChIKey

BNJOQKFENDDGSC-UHFFFAOYSA-N

Probes And Drugs ID

PD158237

0 references

LIPID MAPS ID

LMFA01170029

1 reference

stated in

LIPID MAPS

reference URL

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

retrieved

30 June 2018

 

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