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CHEBI:70595 - Penasin B

ChEBI IDCHEBI:70595
ChEBI NamePenasin B
Stars
DefinitionA natural product found in Penares species.
Last Modified22 September 2014
DownloadsMolfile
FormulaC30H56ClNO2
Net Charge0
Average Mass498.236
Monoisotopic Mass497.39996
SMILESCCCCCCCCCCCCCCCC/C=C(\Cl)CC/C=C\CCCC[C@@H]1OC[C@H](N)[C@@H]1O
InChIInChI=1S/C30H56ClNO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-23-27(31)24-21-18-15-16-19-22-25-29-30(33)28(32)26-34-29/h15,18,23,28-30,33H,2-14,16-17,19-22,24-26,32H2,1H3/b18-15-,27-23-/t28-,29-,30-/m0/s1
InChIKeyMOBARKDTJFXOAP-BDGGXDINSA-N
Species of MetaboliteComponentSourceComments
Penares (ncbitaxon:77185) - PubMed (20949915) The frozen sponge was homogenized and extracted with MeOH and CHCl3/MeOH(1:1)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Penasin B (CHEBI:70595) has role metabolite (CHEBI:25212)
Penasin B (CHEBI:70595) is a monosaccharide (CHEBI:35381)
Synonym  Source
(2S,3S,4S)-4-amino-2-[(5Z,9Z)-9-chlorohexacosa-5,9-dienyl]oxolan-3-olChEBI
Citations