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CHEBI:70209 - Tunicyclin D

ChEBI IDCHEBI:70209
ChEBI NameTunicyclin D
Stars
DefinitionA natural product found in Psammosilene tunicoides.
Last Modified22 September 2014
DownloadsMolfile
FormulaC44H60N12O9
Net Charge0
Average Mass901.039
Monoisotopic Mass900.46062
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@H](Cc2cncn2)NC(=O)[C@H](Cc2cnc3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C1=O
InChIInChI=1S/C44H60N12O9/c1-5-24(4)37-44(65)56-15-9-13-33(56)43(64)55-14-8-12-32(55)41(62)51-29(16-25-19-47-28-11-7-6-10-27(25)28)39(60)50-30(17-26-20-46-22-49-26)38(59)48-21-35(58)53-36(23(2)3)42(63)52-31(18-34(45)57)40(61)54-37/h6-7,10-11,19-20,22-24,29-33,36-37,47H,5,8-9,12-18,21H2,1-4H3,(H2,45,57)(H,46,49)(H,48,59)(H,50,60)(H,51,62)(H,52,63)(H,53,58)(H,54,61)/t24-,29-,30-,31-,32-,33-,36-,37-/m0/s1
InChIKeyRXDUUZAJNVJIAD-LIDFJZNPSA-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)
Tunicyclin D (CHEBI:70209) has role metabolite (CHEBI:25212)
Tunicyclin D (CHEBI:70209) is a cyclic peptide (CHEBI:23449)
Synonym  Source
cyclo-(L-Pro-L-Pro-L-Trp-L-His-Gly-L-Val-L-Asn-L-Ile)ChEBI
Citations