Coryneine (CHEBI:81125)

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CHEBI:81125 - Coryneine

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ChEBI ID	CHEBI:81125
ChEBI Name	Coryneine
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Downloads	Molfile

Formula	C11H18NO2
Net Charge	+1
Average Mass	196.270
Monoisotopic Mass	196.13321
SMILES	C[N+](C)(C)CCc1ccc(O)c(O)c1
InChI	InChI=1S/C11H17NO2/c1-12(2,3)7-6-9-4-5-10(13)11(14)8-9/h4-5,8H,6-7H2,1-3H3,(H-,13,14)/p+1
InChIKey	VDTBORSEFUUDTP-UHFFFAOYSA-O

Roles Classification

Chemical Roles:	Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:	molecular messenger

ChEBI Ontology

Outgoing Relation(s)
	Coryneine (CHEBI:81125) is a catecholamine (CHEBI:33567)

Manual Xrefs	Databases
C17486	KEGG COMPOUND

Registry Numbers	Sources
CAS:7224-66-0	KEGG COMPOUND