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CHEBI:70590 - Scytonemide B

ChEBI IDCHEBI:70590
ChEBI NameScytonemide B
Stars
DefinitionA natural product found in Scytonema hofmanni.
Last Modified22 September 2014
DownloadsMolfile
FormulaC39H53N7O12
Net Charge0
Average Mass811.890
Monoisotopic Mass811.37522
SMILESCCCCCC1CC(=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
InChIInChI=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
InChIKeyONZIPRUJMWNLDH-REVKYEQOSA-N
Species of MetaboliteComponentSourceComments
Scytonema hofmanni (ncbitaxon:34078) - PubMed (21058727) Lyophilized cell material of freshwater cyanobacterium was extracted with MeOH-CH2Cl2 (1:1) Strain: UTEX 1834
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)
Scytonemide B (CHEBI:70590) has role metabolite (CHEBI:25212)
Scytonemide B (CHEBI:70590) is a cyclodepsipeptide (CHEBI:35213)
Citations