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CHEBI:156002 - SCB3

ChEBI IDCHEBI:156002
ChEBI NameSCB3
Stars
Last Modified26 February 2021
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC14H26O4
Net Charge0
Average Mass258.358
Monoisotopic Mass258.18311
SMILES[H][C@@]1(CO)COC(=O)[C@@]1([H])[C@H](O)CCCCC(C)CC
InChIInChI=1S/C14H26O4/c1-3-10(2)6-4-5-7-12(16)13-11(8-15)9-18-14(13)17/h10-13,15-16H,3-9H2,1-2H3/t10?,11-,12-,13-/m1/s1
InChIKeyQZOCOXOCSGUGFC-KIGPFUIMSA-N
ChEBI Ontology
Outgoing Relation(s)
SCB3 (CHEBI:156002) is a butan-4-olide (CHEBI:22950)
SCB3 (CHEBI:156002) is a primary alcohol (CHEBI:15734)
UniProt Name  Source
SCB3UniProt
Manual XrefsDatabases
CPD-19946MetaCyc
Citations