HSV

L-histidinal

Created:2015-06-17
Last modified:  2024-09-27

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Chemical Details

Formal Charge1
Atom Count20
Chiral Atom Count1
Bond Count20
Aromatic Bond Count5
2D diagram of HSV

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Chemical Component Summary

NameL-histidinal
Systematic Name (OpenEye OEToolkits)(2S)-2-azanyl-3-(1H-imidazol-3-ium-4-yl)propanal
FormulaC6 H10 N3 O
Molecular Weight140.163
TypeL-PEPTIDE LINKING

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01NC(C=O)Cc1[nH+]cnc1
SMILESCACTVS3.385N[CH](Cc1c[nH]c[nH+]1)C=O
SMILESOpenEye OEToolkits1.7.6c1c([nH+]c[nH]1)CC(C=O)N
Canonical SMILESCACTVS3.385 N[C@@H](Cc1c[nH]c[nH+]1)C=O
Canonical SMILESOpenEye OEToolkits1.7.6 c1c([nH+]c[nH]1)C[C@@H](C=O)N
InChIInChI1.03 InChI=1S/C6H9N3O/c7-5(3-10)1-6-2-8-4-9-6/h2-5H,1,7H2,(H,8,9)/p+1/t5-/m0/s1
InChIKeyInChI1.03 VYOIELONWKIZJS-YFKPBYRVSA-O

Related Resource References

Resource NameReference
PubChem 446750, 57339283
ChEBI CHEBI:64802