hexadecanedioic acid (Q27144068)

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chemical compound

• Thapsic acid
• 1,16-Hexadecanedioic acid
• 1,14-Tetradecanedicarboxylic acid

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Language	Label	Description	Also known as
English	hexadecanedioic acid	chemical compound	Thapsic acid 1,16-Hexadecanedioic acid 1,14-Tetradecanedicarboxylic acid

Statements

instance of

type of chemical entity

0 references

subclass of

fatty acid

0 references

dicarboxylic acid

0 references

chemical structure

Thapsic acid.png
2,391 × 488; 39 KB

0 references

mass

286.214±0 dalton

1 reference

stated in

PubChem

PubChem CID

10459

language of work or name

English

title

HEXADECANEDIOIC ACID (English)

retrieved

7 October 2016

chemical formula

C₁₆H₃₀O₄

1 reference

stated in

PubChem

PubChem CID

10459

language of work or name

English

title

HEXADECANEDIOIC ACID (English)

retrieved

7 October 2016

canonical SMILES

C(CCCCCCCC(=O)O)CCCCCCC(=O)O

1 reference

stated in

PubChem

PubChem CID

10459

language of work or name

English

title

HEXADECANEDIOIC ACID (English)

retrieved

7 October 2016

found in taxon

Homo sapiens

1 reference

stated in

Recon 2.2: from reconstruction to model of human metabolism

Pyrococcus furiosus

1 reference

stated in

Unusual fatty acid compositions of the hyperthermophilic archaeon Pyrococcus furiosus and the bacterium Thermotoga maritima

Arabidopsis thaliana

1 reference

stated in

Analysis of the aliphatic monomer composition of polyesters associated with Arabidopsis epidermis: occurrence of octadeca-cis-6, cis-9-diene-1,18-dioate as the major component.

Pinus radiata

1 reference

stated in

Constituent acids of Pinus radiata stem cutin

Identifiers

InChI

InChI=1S/C16H30O4/c17-15(18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(19)20/h1-14H2,(H,17,18)(H,19,20)

1 reference

stated in

PubChem

PubChem CID

10459

language of work or name

English

title

HEXADECANEDIOIC ACID (English)

retrieved

7 October 2016

InChIKey

QQHJDPROMQRDLA-UHFFFAOYSA-N

2 references

stated in

PubChem

PubChem CID

10459

language of work or name

English

title

HEXADECANEDIOIC ACID (English)

retrieved

7 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

505-54-4

2 references

stated in

ChEBI

ChEBI ID

73722

language of work or name

English

title

hexadecanedioic acid (English)

retrieved

7 October 2016

InChIKey

QQHJDPROMQRDLA-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

9 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=505-54-4

ChemSpider ID

10027

1 reference

stated in

ChemSpider

ChemSpider ID

10027

language of work or name

English

title

hexadecandioic acid (English)

retrieved

7 October 2016

PubChem CID

10459

1 reference

stated in

PubChem

PubChem CID

10459

language of work or name

English

title

HEXADECANEDIOIC ACID (English)

retrieved

7 October 2016

Reaxys registry number

1792831

1 reference

stated in

ChEBI

ChEBI ID

73722

language of work or name

English

title

hexadecanedioic acid (English)

retrieved

7 October 2016

ChEBI ID

73722

mapping relation type

exact match

2 references

stated in

ChEBI

ChEBI ID

73722

language of work or name

English

title

hexadecanedioic acid (English)

retrieved

7 October 2016

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C16H30O4/c17-15(18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(19)20/h1-14H2,(H,17,18)(H,19,20)

SureChEMBL ID

SCHEMBL36069

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

QQHJDPROMQRDLA-UHFFFAOYSA-N

UniChem compound ID

23511640

1 reference

stated in

UniChem

SPLASH

splash10-01ow-9210000000-ae9c39d4b07c3e8cb742

0 references

splash10-01b9-0090000000-29b1e4612ce1b89fe132

0 references

splash10-000i-0090000000-2311edb5a21bc7c11854

0 references

DSSTox substance ID

DTXSID2060129

1 reference

stated in

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

DSSTOX compound identifier

DTXCID9040847

0 references

NSC number

15164

0 references

EC number

208-013-5

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.007.285

retrieved

27 December 2018

title

Hexadecanedioic acid (English)

quotation

CAS no.: 505-54-4 (English)

ECHA Substance Infocard ID

100.007.285

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.007.285

retrieved

20 December 2018

title

Hexadecanedioic acid (English)

quotation

CAS no.: 505-54-4 (English)

Cannabis Database ID

004856

1 reference

stated in

Cannabis Database

Human Metabolome Database ID

HMDB0000672

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

QQHJDPROMQRDLA-UHFFFAOYSA-N

KNApSAcK ID

C00007429

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

QQHJDPROMQRDLA-UHFFFAOYSA-N

Natural Product Atlas ID

NPA008906

1 reference

based on heuristic

inferred from InChIKey

Probes And Drugs ID

PD099454

0 references

KEGG ID

C19615

1 reference

stated in

ChEBI

ChEBI ID

73722

language of work or name

English

title

hexadecanedioic acid (English)

retrieved

7 October 2016

LIPID MAPS ID

LMFA01170022

0 references

Freebase ID

/m/02kcv3m

0 references

 

Sitelinks

Wikipedia(3 entries)

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• enwiki Thapsic acid
• eowiki Heksadekanoduata acido
• zhwiki 十六烷二酸

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Wikiversity(0 entries)

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Wikivoyage(0 entries)

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Wiktionary(0 entries)

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Multilingual sites(0 entries)

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