N-(1-Hydroxyethylidene)-3-methylhistidine (Q82939415)

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chemical compound

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Language	Label	Description	Also known as
English	N-(1-Hydroxyethylidene)-3-methylhistidine	chemical compound

Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

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mass

211.095691276 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₉H₁₃N₃O₃

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canonical SMILES

CC(=O)NC(Cc1cncn1C)C(=O)O

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isomeric SMILES

CC(=O)N[C@@H](CC1=CN=CN1C)C(=O)O

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Identifiers

InChI

InChI=1S/C9H13N3O3/c1-6(13)11-8(9(14)15)3-7-4-10-5-12(7)2/h4-5,8H,3H2,1-2H3,(H,11,13)(H,14,15)/t8-/m0/s1

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InChIKey

FKTXRTPBUWLETL-QMMMGPOBSA-N

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CAS Registry Number

37841-04-6

1 reference

InChIKey

FKTXRTPBUWLETL-QMMMGPOBSA-N

stated in

CAS Common Chemistry

retrieved

8 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=37841-04-6

PubChem CID

193270

1 reference

matched by identifier from

InChIKey

InChIKey

FKTXRTPBUWLETL-QMMMGPOBSA-N

ChEBI ID

133183

mapping relation type

exact match

2 references

stated in

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C9H13N3O3/c1-6(13)11-8(9(14)15)3-7-4-10-5-12(7)2/h4-5,8H,3H2,1-2H3,(H,11,13)(H,14,15)/t8-/m0/s1

UniChem compound ID

26130748

1 reference

stated in

UniChem

DSSTox substance ID

DTXSID80958873

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DSSTOX compound identifier

DTXCID101386765

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Human Metabolome Database ID

HMDB0240341

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

FKTXRTPBUWLETL-QMMMGPOBSA-N

 

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