carnosine zwitterion (Q106345643)

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chemical compound

• N(alpha)-(beta-alaniniumyl)-L-histidinate

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Language	Label	Description	Also known as
English	carnosine zwitterion	chemical compound	N(alpha)-(beta-alaniniumyl)-L-histidinate

Statements

instance of

type of chemical entity

0 references

subclass of

Ribonuclease A

1 reference

based on heuristic

inferred from InChIKey

2-[(3-amino-1-hydroxypropylidene)amino]-3-(3H-imidazol-4-yl)propanoic acid

1 reference

based on heuristic

inferred from InChIKey

part of

carnosine synthase activity

1 reference

reference URL

http://geneontology.org/external2go/rhea2go

retrieved

1 February 2021

carnosine N-methyltransferase activity

1 reference

reference URL

http://geneontology.org/external2go/rhea2go

retrieved

1 February 2021

carnosine metabolic process

subject has role

participant

1 reference

stated in

Gene Ontology release 2022-07-01

carnosine biosynthetic process

subject has role

product

1 reference

stated in

Gene Ontology release 2022-07-01

mass

226.106590308 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

D-carnosine

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

carnosine

1 reference

based on heuristic

inferred from InChI

tautomer of

carnosine

1 reference

stated in

ChEBI release 2021-03-01

chemical formula

C₉H₁₄N₄O₃

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

NCCC(O)=NC(Cc1cnc[nH]1)C(=O)O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O

1 reference

based on heuristic

inferred from InChI

subject has role

primary metabolite

1 reference

stated in

Reactome

reference URL

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

Identifiers

InChI

InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1

1 reference

stated in

ChEBI release 2021-03-01

InChIKey

CQOVPNPJLQNMDC-ZETCQYMHSA-N

1 reference

stated in

ChEBI release 2021-03-01

CAS Registry Number

305-84-0

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

retrieved

25 January 2022

1370422-07-3

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

retrieved

25 January 2022

PubChem CID

6992100

1 reference

matched by identifier from

InChIKey

InChIKey

CQOVPNPJLQNMDC-ZETCQYMHSA-N

439224

1 reference

matched by identifier from

InChIKey

InChIKey

CQOVPNPJLQNMDC-ZETCQYMHSA-N

ChEBI ID

57485

mapping relation type

exact match

2 references

stated in

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1

15727

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1

SureChEMBL ID

SCHEMBL33769

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

CQOVPNPJLQNMDC-ZETCQYMHSA-N

SCHEMBL1161102

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

CQOVPNPJLQNMDC-ZETCQYMHSA-N

MassBank accession ID

MSBNK-NAIST-KNA00109

1 reference

InChIKey

CQOVPNPJLQNMDC-ZETCQYMHSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-NAIST-KNA00110

1 reference

InChIKey

CQOVPNPJLQNMDC-ZETCQYMHSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-NAIST-KNA00111

1 reference

InChIKey

CQOVPNPJLQNMDC-ZETCQYMHSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-NAIST-KNA00260

1 reference

InChIKey

CQOVPNPJLQNMDC-ZETCQYMHSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-NAIST-KNA00261

1 reference

InChIKey

CQOVPNPJLQNMDC-ZETCQYMHSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-NAIST-KNA00511

1 reference

InChIKey

CQOVPNPJLQNMDC-ZETCQYMHSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-NAIST-KNA00512

1 reference

InChIKey

CQOVPNPJLQNMDC-ZETCQYMHSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-NAIST-KNA00513

1 reference

InChIKey

CQOVPNPJLQNMDC-ZETCQYMHSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-NAIST-KNA00514

1 reference

InChIKey

CQOVPNPJLQNMDC-ZETCQYMHSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-NAIST-KNA00652

1 reference

InChIKey

CQOVPNPJLQNMDC-ZETCQYMHSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-Keio_Univ-KO000386

1 reference

InChIKey

CQOVPNPJLQNMDC-ZETCQYMHSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-Keio_Univ-KO000388

1 reference

InChIKey

CQOVPNPJLQNMDC-ZETCQYMHSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-Keio_Univ-KO000390

1 reference

InChIKey

CQOVPNPJLQNMDC-ZETCQYMHSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-Keio_Univ-KO002522

1 reference

InChIKey

CQOVPNPJLQNMDC-ZETCQYMHSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-Keio_Univ-KO002524

1 reference

InChIKey

CQOVPNPJLQNMDC-ZETCQYMHSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-Keio_Univ-KO002526

1 reference

InChIKey

CQOVPNPJLQNMDC-ZETCQYMHSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-Keio_Univ-KO008898

1 reference

InChIKey

CQOVPNPJLQNMDC-ZETCQYMHSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-Keio_Univ-KO008899

1 reference

InChIKey

CQOVPNPJLQNMDC-ZETCQYMHSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-Keio_Univ-KO000387

1 reference

InChIKey

CQOVPNPJLQNMDC-ZETCQYMHSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-Keio_Univ-KO002523

1 reference

InChIKey

CQOVPNPJLQNMDC-ZETCQYMHSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-Keio_Univ-KO002525

1 reference

InChIKey

CQOVPNPJLQNMDC-ZETCQYMHSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-Keio_Univ-KO008901

1 reference

InChIKey

CQOVPNPJLQNMDC-ZETCQYMHSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-Keio_Univ-KO000389

1 reference

InChIKey

CQOVPNPJLQNMDC-ZETCQYMHSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-Keio_Univ-KO008900

1 reference

InChIKey

CQOVPNPJLQNMDC-ZETCQYMHSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-RIKEN-PR100072

1 reference

InChIKey

CQOVPNPJLQNMDC-ZETCQYMHSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-RIKEN-PR100073

1 reference

InChIKey

CQOVPNPJLQNMDC-ZETCQYMHSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-RIKEN-PR100391

1 reference

InChIKey

CQOVPNPJLQNMDC-ZETCQYMHSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-RIKEN-PR100518

1 reference

InChIKey

CQOVPNPJLQNMDC-ZETCQYMHSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-NAIST-KNA00263

1 reference

InChIKey

CQOVPNPJLQNMDC-ZETCQYMHSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-NAIST-KNA00653

1 reference

InChIKey

CQOVPNPJLQNMDC-ZETCQYMHSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

DSSTox substance ID

DTXSID80879594

1 reference

matched by identifier from

InChIKey

InChIKey

CQOVPNPJLQNMDC-ZETCQYMHSA-N

DrugBank ID

DB11695

1 reference

matched by identifier from

InChIKey

InChIKey

CQOVPNPJLQNMDC-ZETCQYMHSA-N

Human Metabolome Database ID

HMDB0000033

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

CQOVPNPJLQNMDC-ZETCQYMHSA-N

KNApSAcK ID

C00052222

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

CQOVPNPJLQNMDC-ZETCQYMHSA-N

UNII

8HO6PVN24W

1 reference

matched by identifier from

InChIKey

InChIKey

CQOVPNPJLQNMDC-ZETCQYMHSA-N

Probes And Drugs ID

PD001527

0 references

 

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Wikipedia(0 entries)

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Wikibooks(0 entries)

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Wikinews(0 entries)

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Wikiquote(0 entries)

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Wikisource(0 entries)

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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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