N-(2-Amino-1-hydroxy-4-methylpentylidene)glycine (Q82962123)

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chemical compound

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Language	Label	Description	Also known as
English	N-(2-Amino-1-hydroxy-4-methylpentylidene)glycine	chemical compound

Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

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mass

188.116092372 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₈H₁₆N₂O₃

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(C)CC(N)C(=O)NCC(=O)O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C8H16N2O3/c1-5(2)3-6(9)8(13)10-4-7(11)12/h5-6H,3-4,9H2,1-2H3,(H,10,13)(H,11,12)

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InChIKey

LESXFEZIFXFIQR-UHFFFAOYSA-N

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CAS Registry Number

615-82-7

1 reference

InChIKey

LESXFEZIFXFIQR-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

9 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=615-82-7

PubChem CID

79070

1 reference

matched by identifier from

InChIKey

InChIKey

LESXFEZIFXFIQR-UHFFFAOYSA-N

ChEBI ID

182915

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C8H16N2O3/c1-5(2)3-6(9)8(13)10-4-7(11)12/h5-6H,3-4,9H2,1-2H3,(H,10,13)(H,11,12)

SureChEMBL ID

SCHEMBL620369

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

LESXFEZIFXFIQR-UHFFFAOYSA-N

MassBank accession ID

MSBNK-RIKEN-PR311064

1 reference

InChIKey

LESXFEZIFXFIQR-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

DSSTox substance ID

DTXSID80977064

1 reference

matched by identifier from

InChIKey

InChIKey

LESXFEZIFXFIQR-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID20881116

0 references

Human Metabolome Database ID

HMDB0028929

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

LESXFEZIFXFIQR-UHFFFAOYSA-N

 

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