CHEBI:206462 - BE-14106

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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 BE-14106
ChEBI ID CHEBI:206462
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H37NO3
Net Charge 0
Average Mass 423.597
Monoisotopic Mass 423.27734
InChI InChI=1S/C27H37NO3/c1-4-5-6-7-17-24-18-11-8-14-22(2)15-9-12-19-25(29)26(30)21-23(3)16-10-13-20-27(31)28-24/h6-16,19-21,24-26,29-30H,4-5,17-18H2,1-3H3,(H,28,31)/b7-6+,11-8+,15-9+,16-10+,19-12-,20-13+,22-14+,23-21+
InChIKey ALYLZDHKQZUVDF-GWNVROLUSA-N
SMILES O=C1NC(CC=CC=C(C=CC=CC(C(C=C(C=CC=C1)C)O)O)C)C/C=C/CCC
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing BE-14106 (CHEBI:206462) is a azamacrocycle (CHEBI:52898)
BE-14106 (CHEBI:206462) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name
(3E,5E,7E,11Z,13E,15E,17E)-20-[(E)-hex-2-enyl]-9,10-dihydroxy-7,15-dimethyl-1-azacycloicosa-3,5,7,11,13,15,17-heptaen-2-one
Manual Xref Database
8563050 ChemSpider
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