CHEBI:9361 - Supinine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Supinine
ChEBI ID CHEBI:9361
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C15H25NO4
Net Charge 0
Average Mass 283.364
Monoisotopic Mass 283.17836
InChI InChI=1S/C15H25NO4/c1-10(2)15(19,11(3)17)14(18)20-9-12-6-8-16-7-4-5-13(12)16/h6,10-11,13,17,19H,4-5,7-9H2,1-3H3/t11-,13+,15+/m1/s1
InChIKey DRVWTOSBCBKXOR-ZLDLUXBVSA-N
SMILES CC(C)[C@](O)([C@@H](C)O)C(=O)OCC1=CCN2CCC[C@@H]12
ChEBI Ontology
Outgoing Supinine (CHEBI:9361) is a pyrrolizines (CHEBI:38522)
Synonyms Sources
Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester, (7aS-(7(2R*,3S*),7aR*))- KEGG COMPOUND
Supinine KEGG COMPOUND
Manual Xrefs Databases
C00002121 KNApSAcK
C10403 KEGG COMPOUND
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Registry Number Type Source
551-58-6 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014