CHEBI:220239 - Chlorotonil C1

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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 Chlorotonil C1
ChEBI ID CHEBI:220239
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C25H33ClO4
Net Charge 0
Average Mass 432.990
Monoisotopic Mass 432.20674
InChI InChI=1S/C25H33ClO4/c1-14-8-5-6-10-16(3)30-25(29)17(4)23(27)22(26)24(28)21-19(14)13-12-18-11-7-9-15(2)20(18)21/h5-6,8,10,12-21,28H,7,9,11H2,1-4H3/b8-5-,10-6+,24-22?/t14-,15-,16+,17+,18+,19+,20-,21-/m1/s1
InChIKey ZDZUJCWDEUTDAT-SDCKYNMJSA-N
SMILES ClC=1C(=O)[C@@H](C(=O)O[C@H](C=CC=C[C@H]([C@H]2[C@@H](C1O)[C@H]3[C@@H](CCC[C@H]3C)C=C2)C)C)C
Metabolite of Species Details
Sorangium (NCBI:txid39643) See: PubMed
ChEBI Ontology
Outgoing Chlorotonil C1 (CHEBI:220239) is a macrolide (CHEBI:25106)
IUPAC Name
(1S,2R,3Z,5E,7S,10S,14R,15R,16R,20S)-12-chloro-13-hydroxy-2,7,10,16-tetramethyl-8-oxatricyclo[12.8.0.015,20]docosa-3,5,12,21-tetraene-9,11-dione