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CHEBI:223642 - methyl (3aR,6R,6aS)-6-[(S)-[(1S)-cyclohex-2-en-1-yl]-hydroxymethyl]-6a-methyl-4-oxo-2,3,3a,5-tetrahydrouro[2,3-c]pyrrole-6-carboxylate

ChEBI IDCHEBI:223642
ChEBI Namemethyl (3aR,6R,6aS)-6-[(S)-[(1S)-cyclohex-2-en-1-yl]-hydroxymethyl]-6a-methyl-4-oxo-2,3,3a,5-tetrahydrouro[2,3-c]pyrrole-6-carboxylate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H23NO5
Net Charge0
Average Mass309.362
Monoisotopic Mass309.15762
SMILESCOC(=O)[C@]1([C@@H](O)[C@@H]2C=CCCC2)NC(=O)[C@@H]2CCO[C@@]21C
InChIInChI=1S/C16H23NO5/c1-15-11(8-9-22-15)13(19)17-16(15,14(20)21-2)12(18)10-6-4-3-5-7-10/h4,6,10-12,18H,3,5,7-9H2,1-2H3,(H,17,19)/t10-,11+,12+,15+,16+/m1/s1
InChIKeyWDIRUGQHYYJBHM-BFPXCNAZSA-N
Species of MetaboliteComponentSourceComments
Salinispora tropica (ncbitaxon:168695) - PubMed (16050677)
ChEBI Ontology
Outgoing Relation(s)
methyl (3aR,6R,6aS)-6-[(S)-[(1S)-cyclohex-2-en-1-yl]-hydroxymethyl]-6a-methyl-4-oxo-2,3,3a,5-tetrahydrouro[2,3-c]pyrrole-6-carboxylate (CHEBI:223642) is a α-amino acid ester (CHEBI:46874)
IUPAC Name 
methyl (3aR,6R,6aS)-6-[(S)-[(1S)-cyclohex-2-en-1-yl]-hydroxymethyl]-6a-methyl-4-oxo-2,3,3a,5-tetrahydrouro[2,3-c]pyrrole-6-carboxylate
Manual XrefsDatabases
9476304ChemSpider