L-homocarnosine zwitterion (Q106314674)

1 February 2021

mass

240.122240372 dalton

1 reference

1 reference

1 reference

chemical formula

C₁₀H₁₆N₄O₃

1 reference

inferred from SMILES

canonical SMILES

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

1 reference

inferred from isomeric SMILES

isomeric SMILES

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

1 reference

InChI=1S/C10H16N4O3/c11-3-1-2-9(15)14-8(10(16)17)4-7-5-12-6-13-7/h5-6,8H,1-4,11H2,(H,12,13)(H,14,15)(H,16,17)/t8-/m0/s1

inferred from InChI

Identifiers

InChI

1 reference

1 reference

CAS Registry Number

3650-73-5

1 reference

CAS (formerly Chemical Abstracts Service)

25 January 2022

ChEBI ID

143075

mapping relation type

exact match

2 references

International Chemical Identifier

InChI

InChI=1S/C10H16N4O3/c11-3-1-2-9(15)14-8(10(16)17)4-7-5-12-6-13-7/h5-6,8H,1-4,11H2,(H,12,13)(H,14,15)(H,16,17)/t8-/m0/s1

85981

mapping relation type

exact match

1 reference

International Chemical Identifier

InChI

InChI=1S/C10H16N4O3/c11-3-1-2-9(15)14-8(10(16)17)4-7-5-12-6-13-7/h5-6,8H,1-4,11H2,(H,12,13)(H,14,15)(H,16,17)/t8-/m0/s1

SureChEMBL ID

SCHEMBL541262

2 references

inferred from InChIKey

SCHEMBL541261

2 references

inferred from InChIKey

MassBank accession ID

MSBNK-Kazusa-KZ000047

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

MSBNK-Kazusa-KZ000157

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

MSBNK-Keio_Univ-KO000978

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

MSBNK-Keio_Univ-KO000980

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

MSBNK-Keio_Univ-KO000982

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

MSBNK-Keio_Univ-KO003068

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

MSBNK-Keio_Univ-KO003070

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

MSBNK-Keio_Univ-KO003071

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

MSBNK-Keio_Univ-KO008991

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

MSBNK-Keio_Univ-KO008993

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

MSBNK-Keio_Univ-KO000981

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

MSBNK-Keio_Univ-KO008992

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

MSBNK-Keio_Univ-KO000979

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

MSBNK-Keio_Univ-KO003069

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

MSBNK-Keio_Univ-KO003072

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

Human Metabolome Database ID

HMDB0000745

2 references

inferred from InChIKey

UNII

M8L4BH36SC

1 reference