CHEBI:5897 - indicine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name indicine
ChEBI ID CHEBI:5897
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C15H25NO5
Net Charge 0
Average Mass 299.36274
Monoisotopic Mass 299.17327
InChI InChI=1S/C15H25NO5/c1-9(2)15(20,10(3)17)14(19)21-8-11-4-6-16-7-5-12(18)13(11)16/h4,9-10,12-13,17-18,20H,5-8H2,1-3H3/t10-,12+,13+,15+/m0/s1
InChIKey SFVVQRJOGUKCEG-XTWPYSKKSA-N
SMILES [H][C@@]12[C@H](O)CCN1CC=C2COC(=O)[C@@](O)(C(C)C)[C@H](C)O
ChEBI Ontology
Outgoing indicine (CHEBI:5897) is a carboxylic ester (CHEBI:33308)
indicine (CHEBI:5897) is a pyrrolizines (CHEBI:38522)
IUPAC Name
[(1R,7aR)-1-hydroxy-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methyl (2R,3S)-2,3-dihydroxy-2-(propan-2-yl)butanoate
Synonyms Sources
[(1R,7aR)-1-hydroxy-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methyl (2R,3S)-2,3-dihydroxy-2-isopropylbutanoate IUPAC
Indicine KEGG COMPOUND
Manual Xrefs Databases
C00002091 KNApSAcK
C10326 KEGG COMPOUND
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Registry Numbers Types Sources
4324630 Beilstein Registry Number ChemIDplus
4704139 Beilstein Registry Number Beilstein
480-82-0 CAS Registry Number NIST Chemistry WebBook
480-82-0 CAS Registry Number ChemIDplus
Last Modified
28 July 2014