CHEBI:70210 - Psammosilenin B

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ChEBI Name Psammosilenin B
ChEBI ID CHEBI:70210
Definition A natural product found in Psammosilene tunicoides.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C45H62N8O9
Net Charge 0
Average Mass 859.02200
Monoisotopic Mass 858.46398
InChI InChI=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
InChIKey UYJODWDXFNUAQH-IKZMJAGBSA-N
SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]2CCCN2C1=O)C(C)C)[C@@H](C)O
Metabolite of Species Details
Psammosilene tunicoides (NCBI:txid39860) Found in root (BTO:0001188). 80% alcoholic extract of air-dried, powdered roots See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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 Psammosilenin B (CHEBI:70210) has role metabolite (CHEBI:25212)
Psammosilenin B (CHEBI:70210) is a cyclic peptide (CHEBI:23449)
Citation Waiting for Citations Type Source
21070025 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:keratan 6'-sulfate(CHEBI:18331); ISA:azamacrocycle(CHEBI:52898); ISA:aralkylamine(CHEBI:18000); ISA:benzenes(CHEBI:22712); ISA:carboxamide(CHEBI:37622); ISA:pyrrolidines(CHEBI:38260); ISA:amino alcohol(CHEBI:22478); ISA:lactam(CHEBI:24995); ISA:secondary alcohol(CHEBI:35681); ISA:tertiary amine(CHEBI:32876); ISA:carboxylic acid(CHEBI:33575); ISA:carbonyl compound(CHEBI:36586);