CHEBI:212097 - Leptolyngbyalide C

ChEBI IDCHEBI:212097
ChEBI NameLeptolyngbyalide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC56H98O12
Net Charge0
Average Mass963.388
Monoisotopic Mass962.70583
SMILESC=C(CC(CC(O)C(C)C(O)CC(O)C(C)(C)C(O)C/C(C)=C/C(O)C1(C)OC2CC(C)CC(O)CC(C)CC(C)=CC(=O)OC1C2)OC(=O)CCCCCCCCCCCCCCC)C(C)=O
InChIInChI=1S/C56H98O12/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-25-53(64)66-45(33-41(6)43(8)57)34-47(59)42(7)48(60)36-50(62)55(9,10)49(61)30-40(5)31-51(63)56(11)52-35-46(68-56)29-39(4)28-44(58)27-37(2)26-38(3)32-54(65)67-52/h31-32,37,39,42,44-52,58-63H,6,12-30,33-36H2,1-5,7-11H3/b38-32?,40-31+
InChIKeyVMYNYOMZAMEUNV-LGYCBILESA-N
Species of MetaboliteComponentSourceComments
Leptolyngbyaspecies PCC 7375 (ncbitaxon:102129) - PubMed (31308532)
ChEBI Ontology
Outgoing Relation(s)
Leptolyngbyalide C (CHEBI:212097) is a long-chain fatty alcohol (CHEBI:17135)
IUPAC Name 
[(E)-7,9,11,13,17-pentahydroxy-17-(9-hydroxy-5,7,11,15-tetramethyl-3-oxo-2,14-dioxabicyclo[11.2.1]hexadec-4-en-15-yl)-8,12,12,15-tetramethyl-3-methylidene-2-oxoheptadec-15-en-5-yl] hexadecanoate