CHEBI:8422 - Proacaciberin

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ChEBI Name Proacaciberin
ChEBI ID CHEBI:8422
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C16H25NO10
Net Charge 0
Average Mass 391.371
Monoisotopic Mass 391.14785
InChI InChI=1S/C16H25NO10/c1-6(2)8(3-17)26-16-14(23)12(21)11(20)9(27-16)5-25-15-13(22)10(19)7(18)4-24-15/h7-16,18-23H,1,4-5H2,2H3/t7-,8+,9+,10-,11+,12-,13+,14+,15-,16+/m0/s1
InChIKey BHUCUDQLYLLDIA-ZHFVSHRQSA-N
SMILES CC(=C)[C@H](O[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C#N
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via cyanogenic glycoside )
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ChEBI Ontology
Outgoing Proacaciberin (CHEBI:8422) is a cyanogenic glycoside (CHEBI:23436)
Synonym Source
Proacaciberin KEGG COMPOUND
Manual Xrefs Databases
C00001451 KNApSAcK
C08337 KEGG COMPOUND
View more database links
Registry Number Type Source
79197-21-0 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014