(Q105001989)

English

2-amino-4-{[1-carboxy-2-(prop-2-en-1-ylsulfanyl)ethyl]-C-hydroxycarbonimidoyl}butanoic acid

group of stereoisomers with the chemical formula C₁₁H₁₈N₂O₅S

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No description defined

Statements

group of stereoisomers

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chemical compound

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290.093642676 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₁H₁₈N₂O₅S

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canonical SMILES

C=CCSCC(NC(=O)CCC(N)C(=O)O)C(=O)O

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Identifiers

InChI=1S/C11H18N2O5S/c1-2-5-19-6-8(11(17)18)13-9(14)4-3-7(12)10(15)16/h2,7-8H,1,3-6,12H2,(H,13,14)(H,15,16)(H,17,18)

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FUTHBNRZCFKVQZ-UHFFFAOYSA-N

0 references

1 reference

based on heuristic

inferred from InChIKey

mapping relation type

2 references

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI=1S/C11H18N2O5S/c1-2-5-19-6-8(11(17)18)13-9(14)4-3-7(12)10(15)16/h2,7-8H,1,3-6,12H2,(H,13,14)(H,15,16)(H,17,18)

UniChem compound ID

1 reference

MassBank accession ID

MSBNK-RIKEN-PR310782

1 reference

FUTHBNRZCFKVQZ-UHFFFAOYSA-N

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

based on heuristic

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

FUTHBNRZCFKVQZ-UHFFFAOYSA-N

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