About: mandelate

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An Entity of Type : wikibase:Item, within Data Space : wikidata.demo.openlinksw.com associated with source document(s)

anion

Attributes	Values
rdf:type	Item
description	anion (en) anion (pl) аніон (uk)
rdfs:label	anion migdalanowy(1−) (pl) mandelate (en)
skos:prefLabel	anion migdalanowy(1−) (pl) mandelate (en)
name	anion migdalanowy(1−) (pl) mandelate (en)
instance of	wds:Q27109865-E8261A95-6D56-4231-AD13-297974DB6E08
part of	wds:Q27109865-906365C1-F5C1-4DC3-A86B-5C83D16E88F8 wds:Q27109865-95DDAF44-D7EA-414A-92CC-D494EF08A7A8 wds:Q27109865-D1FFC8B6-9072-4F9A-B9CF-3D0955132322
instance of	group of stereoisomers
part of	mandelate metabolic process mandelate catabolic process mandelate biosynthetic process
subclass of	wds:Q27109865-138082f1-43d1-7777-39ca-ccf087bf840e wds:Q27109865-f0c761f7-4ff6-4cdf-2716-e348a85cb3b8
subclass of	monoanion carboxylate anion
UniChem compound ID	wds:Q27109865-8FF23D1E-D173-4328-BAAA-A5E64CBCDD3B
Gmelin number	wds:Q27109865-AB7D347D-92DC-4865-A709-1CF7485C5C51
Reaxys registry number	wds:Q27109865-6DB0C66A-8C12-4648-9AE5-C9D48A746040 wds:Q27109865-A99CEC23-6D8B-4578-9E8F-81B837AD9E78
CAS Registry Number	wds:Q27109865-6B590E99-3B0E-4551-BA8F-AEF113A9A8B2
canonical SMILES	wds:Q27109865-DB30362D-4116-4A34-8267-9CEADF4D013E
InChI	wds:Q27109865-1E0EBB92-0CA8-457C-9E5F-7F1CF963FD15
InChIKey	wds:Q27109865-C32920BF-82EE-499B-8451-EB6D3BBC6F65
chemical formula	wds:Q27109865-154A2057-E0EC-41B5-9444-0566923C5097
DSSTox substance ID	wds:Q27109865-86E8C99B-3D9A-455B-9EFF-DF66C5B54158
ChemSpider ID	wds:Q27109865-F1E82C28-5E34-4A51-90CA-CC2AE0683D80
PubChem CID	wds:Q27109865-FF8CE947-514C-415E-9940-6BB46A087495
ChEBI ID	wds:Q27109865-711B4482-CA80-47CE-8A92-25F3A74FB4E7
DSSTOX compound identifier	wds:Q27109865-27DC671A-10E1-45B7-B2A8-A46A4AE7CF2E
ChemSpider ID	http://rdf.chemspider.com/3064854
PubChem CID	http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3839223
ChEBI ID	http://purl.obolibrary.org/obo/CHEBI_25147
UniChem compound ID	1101447
Gmelin number	328159
Reaxys registry number	3905858 4135334
CAS Registry Number	769-61-9
canonical SMILES	C1=CC=C(C=C1)C(C(=O)[O-])O
InChI	InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/p-1
InChIKey	IWYDHOAUDWTVEP-UHFFFAOYSA-M
chemical formula	C₈H₇O₃⁻
DSSTox substance ID	DTXSID90998189
ChemSpider ID	3064854
PubChem CID	3839223
ChEBI ID	25147
DSSTOX compound identifier	DTXCID901425183
skos:altLabel	2-hydroxy-2-(4-hydroxyphenyl)acetate (en) alpha-hydroxybenzeneacetate (en) alpha-hydroxybenzeneacetic acid, ion(1-) (en) mandelate ion (en) migdalan(1−) (pl)
mass	wds:Q27109865-29C36AF6-A98F-42A7-94BD-0A847780C9F5
mass	151.039519 (xsd:decimal)
conjugate acid	wds:Q27109865-b74307e9-4c10-b84d-642e-1719387bb52c
conjugate acid	(RS)-mandelic acid
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q27109865
is subclass of of	(R)-mandelate (S)-mandelate
is subclass of of	wds:Q27102584-5356460F-7C95-4C75-985E-41DE96412E94 wds:Q27104212-BFC6814C-E8AE-4BB3-98DE-5A4154BB06BB
is has part(s) of	mandelate metabolic process mandelate catabolic process mandelate biosynthetic process
is has part(s) of	wds:Q22283143-5DE72247-1ECD-4758-8A0F-CE21452BBA26 wds:Q22282003-31C80A86-9001-46A7-9D43-0E1B0CABAD9D wds:Q21758080-BC895E26-DA62-4DCC-A77A-CB665499E0E7
is conjugate base of	(RS)-mandelic acid
is conjugate base of	wds:Q412293-9ea65ebb-432b-7d8e-f6b2-6f79f857c98d

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