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CHEBI:200581 - Ratjadone B

ChEBI IDCHEBI:200581
ChEBI NameRatjadone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H38O5
Net Charge0
Average Mass442.596
Monoisotopic Mass442.27192
SMILESC/C=C/[C@@H]1O[C@H]([C@H](O)/C=C/C=C/C[C@@H](C)/C=C(C)\C=C\[C@H]2CC=CC(=O)O2)C[C@@H](O)[C@@H]1C
InChIInChI=1S/C27H38O5/c1-5-10-25-21(4)24(29)18-26(32-25)23(28)13-8-6-7-11-19(2)17-20(3)15-16-22-12-9-14-27(30)31-22/h5-10,13-17,19,21-26,28-29H,11-12,18H2,1-4H3/b7-6+,10-5+,13-8+,16-15+,20-17-/t19-,21+,22-,23-,24-,25+,26+/m1/s1
InChIKeyJERLXLTXWGZZDN-YRCSHCDNSA-N
Species of MetaboliteComponentSourceComments
Sorangium cellulosum (ncbitaxon:56) - DOI (10.1016/s0014-4827(03)00100-9)
ChEBI Ontology
Outgoing Relation(s)
Ratjadone B (CHEBI:200581) is a long-chain fatty alcohol (CHEBI:17135)
IUPAC Name 
(2R)-2-[(1E,3Z,5R,7E,9E,11R)-11-hydroxy-11-[(2S,4R,5S,6S)-4-hydroxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]-3,5-dimethylundeca-1,3,7,9-tetraenyl]-2,3-dihydropyran-6-one
Manual XrefsDatabases
78442509ChemSpider