(Q59982824)

English

Homoanserine

chemical compound

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Statements

type of chemical entity

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chemical compound

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254.137890436 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₁₁H₁₈N₄O₃

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canonical SMILES

Cn1cncc1CC(NC(=O)CCCN)C(=O)O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CN1C=NC=C1C[C@@H](C(=O)O)NC(=O)CCCN

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Identifiers

InChI=1S/C11H18N4O3/c1-15-7-13-6-8(15)5-9(11(17)18)14-10(16)3-2-4-12/h6-7,9H,2-5,12H2,1H3,(H,14,16)(H,17,18)/t9-/m0/s1

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HXBKNURIXGGFCX-VIFPVBQESA-N

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CAS Registry Number

1 reference

CAS (formerly Chemical Abstracts Service)

25 January 2022

1 reference

matched by identifier from

HXBKNURIXGGFCX-VIFPVBQESA-N

mapping relation type

2 references

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI=1S/C11H18N4O3/c1-15-7-13-6-8(15)5-9(11(17)18)14-10(16)3-2-4-12/h6-7,9H,2-5,12H2,1H3,(H,14,16)(H,17,18)/t9-/m0/s1

SCHEMBL26121801

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

HXBKNURIXGGFCX-VIFPVBQESA-N

UniChem compound ID

1 reference

DSSTox substance ID

1 reference

matched by identifier from

HXBKNURIXGGFCX-VIFPVBQESA-N

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

HXBKNURIXGGFCX-VIFPVBQESA-N

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