CHEBI:200581 - Ratjadone B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Ratjadone B
ChEBI ID CHEBI:200581
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H38O5
Net Charge 0
Average Mass 442.596
Monoisotopic Mass 442.27192
InChI InChI=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
InChIKey JERLXLTXWGZZDN-YRCSHCDNSA-N
SMILES O=C1O[C@@H](/C=C/C(=C\[C@@H](C/C=C/C=C/[C@@H](O)[C@H]2O[C@@H](/C=C/C)[C@@H](C)[C@@H](C2)O)C)/C)CC=C1
Metabolite of Species Details
Sorangium cellulosum (NCBI:txid56) See: DOI
ChEBI Ontology
Outgoing 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 Xref Database
78442509 ChemSpider
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