Indole-3-carboxilic acid-O-sulphate (CHEBI:89621)

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CHEBI:89621 - Indole-3-carboxilic acid-O-sulphate

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ChEBI ID	CHEBI:89621
ChEBI Name	Indole-3-carboxilic acid-O-sulphate
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Downloads	Molfile

Formula	C9H7NO5S
Net Charge	0
Average Mass	241.224
Monoisotopic Mass	241.00449
SMILES	O=C(OS(=O)(=O)O)c1cnc2ccccc12
InChI	InChI=1S/C9H7NO5S/c11-9(15-16(12,13)14)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,12,13,14)
InChIKey	BXPGPYRRSKPDOZ-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	urine (BTO:0001419)	PubMed (22827565)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	Indole-3-carboxilic acid-O-sulphate (CHEBI:89621) is a indolyl carboxylic acid (CHEBI:46867)

Synonym	Source
(1H-indole-3-carbonyloxy)sulfonic acid	HMDB

Manual Xrefs	Databases
HMDB0060002	HMDB

Citations