CHEBI:227004 - Biselyngbyolide 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 Biselyngbyolide B
ChEBI ID CHEBI:227004
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H40O4
Net Charge 0
Average Mass 428.613
Monoisotopic Mass 428.29266
InChI InChI=1S/C27H40O4/c1-6-7-13-22(3)19-25-16-11-9-8-10-14-21(2)18-23(4)26(30-5)17-12-15-24(28)20-27(29)31-25/h6-12,15,18-19,21,24-26,28H,13-14,16-17,20H2,1-5H3/b7-6+,10-8+,11-9+,15-12+,22-19-,23-18+/t21-,24+,25+,26-/m0/s1
InChIKey DVYYXLNVAXSASA-BEVCVMOBSA-N
SMILES O=C1O[C@@H](/C=C(\C/C=C/C)/C)CC=CC=CC[C@H](C)C=C([C@H](CC=C[C@H](C1)O)OC)C
Metabolite of Species Details
Lyngbya (NCBI:txid28073) See: DOI
ChEBI Ontology
Outgoing Biselyngbyolide B (CHEBI:227004) is a macrolide (CHEBI:25106)
IUPAC Name
(4S,5E,8S,9E,11S,13E,15E,18R)-4-hydroxy-8-methoxy-9,11-dimethyl-18-[(1Z,4E)-2-methylhexa-1,4-dienyl]-1-oxacyclooctadeca-5,9,13,15-tetraen-2-one
Manual Xrefs Databases
32033914 ChemSpider
7BL PDBeChem
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