CHEBI:212097 - Leptolyngbyalide C

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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 Leptolyngbyalide C
ChEBI ID CHEBI:212097
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C56H98O12
Net Charge 0
Average Mass 963.388
Monoisotopic Mass 962.70583
InChI InChI=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+
InChIKey VMYNYOMZAMEUNV-LGYCBILESA-N
SMILES O=C1OC2C(OC(C2)CC(CC(CC(CC(=C1)C)C)O)C)(C(O)/C=C(/CC(O)C(C(O)CC(O)C(C(O)CC(OC(=O)CCCCCCCCCCCCCCC)CC(C(=O)C)=C)C)(C)C)\C)C
Metabolite of Species Details
Leptolyngbyaspecies PCC 7375 (NCBI:txid102129) See: PubMed
ChEBI Ontology
Outgoing 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