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CHEBI:217592 - 5alpha,12-dihydroxy-1-tremulen-11-yl 2(S)-pyroglutamate

ChEBI IDCHEBI:217592
ChEBI Name5alpha,12-dihydroxy-1-tremulen-11-yl 2(S)-pyroglutamate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H31NO5
Net Charge0
Average Mass365.470
Monoisotopic Mass365.22022
SMILESC[C@@H]1[C@H](O)C[C@@H](CO)C(COC(=O)[C@H]2CCC(=O)N2)=C2CC(C)(C)C[C@@H]21
InChIInChI=1S/C20H31NO5/c1-11-13-7-20(2,3)8-14(13)15(12(9-22)6-17(11)23)10-26-19(25)16-4-5-18(24)21-16/h11-13,16-17,22-23H,4-10H2,1-3H3,(H,21,24)/t11-,12-,13+,16+,17+/m0/s1
InChIKeyIQKGQLSGOWFRNJ-IPJLKBMESA-N
Species of MetaboliteComponentSourceComments
Conocybe siliginea (ncbitaxon:373326) - PubMed (18598081)
ChEBI Ontology
Outgoing Relation(s)
5alpha,12-dihydroxy-1-tremulen-11-yl 2(S)-pyroglutamate (CHEBI:217592) is a α-amino acid ester (CHEBI:46874)
IUPAC Name 
[(5R,7R,8S,8aR)-7-hydroxy-5-(hydroxymethyl)-2,2,8-trimethyl-3,5,6,7,8,8a-hexahydro-1H-azulen-4-yl]methyl (2R)-5-oxopyrrolidine-2-carboxylate
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78441549ChemSpider