cysteinyldopa (unspecified stereochemistry) (Q5201200)

CYSTEINYLDOPA (English)

19 September 2016

chemical formula

C₁₂H₁₆N₂O₆S

1 reference

CYSTEINYLDOPA (English)

19 September 2016

canonical SMILES

C1=C(C=C(C(=C1O)O)SCC(C(=O)O)N)CC(C(=O)O)N

1 reference

CYSTEINYLDOPA (English)

InChI=1S/C12H16N2O6S/c13-6(11(17)18)1-5-2-8(15)10(16)9(3-5)21-4-7(14)12(19)20/h2-3,6-7,15-16H,1,4,13-14H2,(H,17,18)(H,19,20)

19 September 2016

Identifiers

InChI

1 reference

CYSTEINYLDOPA (English)

SXISMOAILJWTID-UHFFFAOYSA-N

19 September 2016

InChIKey

1 reference

CYSTEINYLDOPA (English)

imported from Wikimedia project

19 September 2016

CAS Registry Number

19641-92-0

1 reference

1 reference

Cysteinyldopa (English)

19 September 2016

1 reference

CYSTEINYLDOPA (English)

matched by identifier from

19 September 2016

ChEBI ID

192589

mapping relation type

exact match

1 reference

International Chemical Identifier

InChI

InChI=1S/C12H16N2O6S/c13-6(11(17)18)1-5-2-8(15)10(16)9(3-5)21-4-7(14)12(19)20/h2-3,6-7,15-16H,1,4,13-14H2,(H,17,18)(H,19,20)

1 reference

matched by identifier from

CHEMBL158934 (English)

19 September 2016

2 references

inferred from InChIKey

InChIKey

SXISMOAILJWTID-UHFFFAOYSA-N

1 reference

Cysteinyldopa

0 references

MeSH tree code

D02.092.311.200.180

0 references

D02.455.426.559.389.657.166.175.200.180

0 references

D02.886.030.230.330

0 references

D12.125.072.050.685.400.180

0 references

D12.125.072.050.875.130.180

0 references

D12.125.166.230.330

0 references

Human Metabolome Database ID

HMDB0244850

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

SXISMOAILJWTID-UHFFFAOYSA-N

1 reference

28 October 2013

1 reference

9 July 2020

Microsoft Academic ID

0 references

1 reference

inferred by common MeSH mappings on source and on Wikidata

stated in

UMLS 2023