CHEBI:70595 - Penasin B

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ChEBI Name Penasin B
ChEBI ID CHEBI:70595
Definition A natural product found in Penares species.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C30H56ClNO2
Net Charge 0
Average Mass 498.22400
Monoisotopic Mass 497.39996
InChI InChI=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
InChIKey MOBARKDTJFXOAP-BDGGXDINSA-N
SMILES CCCCCCCCCCCCCCCC\C=C(/Cl)CC\C=C/CCCC[C@@H]1OC[C@H](N)[C@@H]1O
Metabolite of Species Details
Penares (NCBI:txid77185) The frozen sponge was homogenized and extracted with MeOH and CHCl3/MeOH(1:1) See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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-ol ChEBI
Citation Waiting for Citations Type Source
20949915 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:oxolanes(CHEBI:26912); ISA:secondary alcohol(CHEBI:35681); ISA:amino alcohol(CHEBI:22478); ISA:organochlorine compound(CHEBI:36683); ISA:ether(CHEBI:25698); ISA:chloroalkene(CHEBI:36387); ISA:alkylamine(CHEBI:13759);