CHEBI:70590 - Scytonemide B

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ChEBI Name Scytonemide B
ChEBI ID CHEBI:70590
Definition A natural product found in Scytonema hofmanni.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C39H53N7O12
Net Charge 0
Average Mass 811.87780
Monoisotopic Mass 811.375
InChI InChI=1S/C39H53N7O12/c1-2-3-5-11-26-20-32(49)42-31(22-47)37(55)45-28(18-23-9-6-4-7-10-23)36(54)44-29(19-24-13-15-25(48)16-14-24)35(53)43-27(12-8-17-41-39(40)57)34(52)46-30(21-33(50)51)38(56)58-26/h4,6-7,9-10,13-16,26-31,47-48H,2-3,5,8,11-12,17-22H2,1H3,(H,42,49)(H,43,53)(H,44,54)(H,45,55)(H,46,52)(H,50,51)(H3,40,41,57)/t26?,27-,28+,29+,30+,31+/m1/s1
InChIKey ONZIPRUJMWNLDH-REVKYEQOSA-N
SMILES CCCCCC1CC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)O1
Metabolite of Species Details
Scytonema hofmanni (NCBI:txid34078) Lyophilized cell material of freshwater cyanobacterium was extracted with MeOH-CH2Cl2 (1:1) of strain UTEX 1834 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 Scytonemide B (CHEBI:70590) has role metabolite (CHEBI:25212)
Scytonemide B (CHEBI:70590) is a cyclodepsipeptide (CHEBI:35213)
Citation Waiting for Citations Type Source
21058727 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:macrolide(CHEBI:25106); ISA:lactam(CHEBI:24995); ISA:alpha-amino acid ester(CHEBI:46874); ISA:keratan 6'-sulfate(CHEBI:18331); ISA:azamacrocycle(CHEBI:52898); ISA:aralkylamine(CHEBI:18000); ISA:phenols(CHEBI:33853); ISA:dicarboxylic acid(CHEBI:35692); ISA:amino alcohol(CHEBI:22478); ISA:ureas(CHEBI:47857); ISA:lactone(CHEBI:25000); ISA:polyol(CHEBI:26191); ISA:carboxamide(CHEBI:37622); ISA:carboxylic ester(CHEBI:33308); ISA:organonitrogen compound(CHEBI:35352); ISA:ether(CHEBI:25698); ISA:carboxylic acid(CHEBI:33575); ISA:primary alcohol(CHEBI:15734); ISA:aromatic alcohol(CHEBI:33854); ISA:carbonyl compound(CHEBI:36586);