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CHEBI:70210 - Psammosilenin B

Default Structure
ChEBI IDCHEBI:70210
ChEBI NamePsammosilenin B
Stars
DefinitionA natural product found in Psammosilene tunicoides.
Last Modified22 September 2014
DownloadsMolfile
FormulaC45H62N8O9
Net Charge0
Average Mass859.038
Monoisotopic Mass858.46398
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]2CCCN2C1=O
InChIInChI=1S/C45H62N8O9/c1-6-27(4)37-45(62)52-21-13-19-33(52)41(58)46-25-35(55)47-31(23-29-15-9-7-10-16-29)39(56)49-36(26(2)3)44(61)53-22-14-20-34(53)42(59)48-32(24-30-17-11-8-12-18-30)40(57)51-38(28(5)54)43(60)50-37/h7-12,15-18,26-28,31-34,36-38,54H,6,13-14,19-25H2,1-5H3,(H,46,58)(H,47,55)(H,48,59)(H,49,56)(H,50,60)(H,51,57)/t27-,28+,31-,32-,33-,34-,36-,37-,38-/m0/s1
InChIKeyUYJODWDXFNUAQH-IKZMJAGBSA-N
Species of MetaboliteComponentSourceComments
Psammosilene tunicoides (ncbitaxon:39860) root (BTO:0001188) PubMed (21070025) 80% alcoholic extract of air-dried, powdered roots
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
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)
Psammosilenin B (CHEBI:70210) has role metabolite (CHEBI:25212)
Psammosilenin B (CHEBI:70210) is a cyclic peptide (CHEBI:23449)
Citations