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CHEBI:210945 - Platencin SL5

ChEBI IDCHEBI:210945
ChEBI NamePlatencin SL5
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O3
Net Charge0
Average Mass316.441
Monoisotopic Mass316.20384
SMILESC=C1C[C@@]23C=CC(=O)[C@@](C)(CCC[C@H](C)C(=O)O)[C@@H]2C[C@@H]1CC3
InChIInChI=1S/C20H28O3/c1-13(18(22)23)5-4-8-19(3)16-11-15-6-9-20(16,12-14(15)2)10-7-17(19)21/h7,10,13,15-16H,2,4-6,8-9,11-12H2,1,3H3,(H,22,23)/t13-,15-,16-,19-,20+/m0/s1
InChIKeyOTSJYWFBWZYZTG-UTAYDHNUSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (23157615)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Platencin SL5 (CHEBI:210945) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
(2S)-2-methyl-5-[(1S,5S,6R,8S)-5-methyl-9-methylidene-4-oxo-5-tricyclo[6.2.2.01,6]dodec-2-enyl]pentanoic acid