(Q82246645)

English

L-Asparagine, L-histidyl-

chemical compound

In more languages

Statements

type of chemical entity

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chemical compound

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269.11240396 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₁₀H₁₅N₅O₄

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canonical SMILES

NC(=O)CC(NC(=O)C(N)Cc1cnc[nH]1)C(=O)O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C1=C(NC=N1)C[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)O)N

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Identifiers

InChI=1S/C10H15N5O4/c11-6(1-5-3-13-4-14-5)9(17)15-7(10(18)19)2-8(12)16/h3-4,6-7H,1-2,11H2,(H2,12,16)(H,13,14)(H,15,17)(H,18,19)/t6-,7-/m0/s1

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WSDOHRLQDGAOGU-BQBZGAKWSA-N

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CAS Registry Number

0 references

1 reference

matched by identifier from

WSDOHRLQDGAOGU-BQBZGAKWSA-N

mapping relation type

2 references

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI=1S/C10H15N5O4/c11-6(1-5-3-13-4-14-5)9(17)15-7(10(18)19)2-8(12)16/h3-4,6-7H,1-2,11H2,(H2,12,16)(H,13,14)(H,15,17)(H,18,19)/t6-,7-/m0/s1

UniChem compound ID

1 reference

DSSTox substance ID

1 reference

matched by identifier from

WSDOHRLQDGAOGU-BQBZGAKWSA-N

DSSTOX compound identifier

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Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

WSDOHRLQDGAOGU-BQBZGAKWSA-N

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