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CHEBI:224511 - Ratjadone C

ChEBI IDCHEBI:224511
ChEBI NameRatjadone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H40O5
Net Charge0
Average Mass456.623
Monoisotopic Mass456.28757
SMILESC/C=C/[C@@H]1O[C@H]([C@H](O)/C=C/C=C/C[C@H](/C=C(C)\C=C\[C@H]2CC=CC(=O)O2)CC)C[C@@H](O)[C@@H]1C
InChIInChI=1S/C28H40O5/c1-5-11-26-21(4)25(30)19-27(33-26)24(29)14-9-7-8-12-22(6-2)18-20(3)16-17-23-13-10-15-28(31)32-23/h5,7-11,14-18,21-27,29-30H,6,12-13,19H2,1-4H3/b8-7+,11-5+,14-9+,17-16+,20-18-/t21-,22+,23+,24+,25+,26-,27-/m0/s1
InChIKeyAGIKPYUAECMOAM-BJVZVNLHSA-N
Species of MetaboliteComponentSourceComments
Sorangium cellulosum (ncbitaxon:56) - DOI (10.1016/s0014-4827(03)00100-9)
ChEBI Ontology
Outgoing Relation(s)
Ratjadone C (CHEBI:224511) is a long-chain fatty alcohol (CHEBI:17135)
IUPAC Name 
(2R)-2-[(1E,3Z,5R,7E,9E,11R)-5-ethyl-11-hydroxy-11-[(2S,4R,5S,6S)-4-hydroxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]-3-methylundeca-1,3,7,9-tetraenyl]-2,3-dihydropyran-6-one
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78442675ChemSpider