CHEBI:212724 - Trichophycin E

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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 Trichophycin E
ChEBI ID CHEBI:212724
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H31BrCl2O2
Net Charge 0
Average Mass 454.270
Monoisotopic Mass 452.08845
InChI InChI=1S/C20H31BrCl2O2/c1-16(13-17(2)20(25)8-6-12-22)9-10-19(24)14-18(15-23)7-4-3-5-11-21/h6,12,15-17,19-20,24-25H,3-4,7-10,13-14H2,1-2H3/b12-6+,18-15+/t16-,17-,19-,20+/m1/s1
InChIKey ZCYDJOFQQAFCJI-NZIPSRDRSA-N
SMILES BrC#CCCC/C(=C\Cl)/C[C@H](O)CC[C@H](C[C@H]([C@@H](O)C/C=C/Cl)C)C
Metabolite of Species Details
Trichodesmiumspecies (NCBI:txid1207) See: PubMed
ChEBI Ontology
Outgoing Trichophycin E (CHEBI:212724) is a secondary alcohol (CHEBI:35681)
IUPAC Name
(E,4S,5R,7R,10R,12E)-17-bromo-1-chloro-12-(chloromethylidene)-5,7-dimethylheptadec-1-en-16-yne-4,10-diol
Manual Xref Database
70951831 ChemSpider
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