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CHEBI:69768 - rel-Cyclo-(Pro-Pro-Ala-Gly-Leu-Ala-Thr-Phe)

ChEBI IDCHEBI:69768
ChEBI Namerel-Cyclo-(Pro-Pro-Ala-Gly-Leu-Ala-Thr-Phe)
Stars
DefinitionA natural product found in Brachystemma calycinum.
Last Modified22 September 2014
DownloadsMolfile
FormulaC38H54N8O10
Net Charge0
Average Mass782.896
Monoisotopic Mass782.39629
SMILESCC(C)C[C@@H]1NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)C(=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)C(=O)N1
InChIInChI=1S/C38H54N8O10/c1-20(2)17-28-41-29(48)19-39-33(51)22(4)40-35(53)26-13-9-15-45(26)38(56)27-14-10-16-46(27)37(55)25(18-24-11-7-6-8-12-24)34(52)44-36(54)30(23(5)47)43-32(50)21(3)31(49)42-28/h6-8,11-12,20-23,25-28,30,47H,9-10,13-19H2,1-5H3,(H,39,51)(H,40,53)(H,41,48)(H,42,49)(H,43,50)(H,44,52,54)/t21-,22+,23-,25-,26+,27+,28-,30+/m1/s1
InChIKeyNFDQDZSUTPQHRB-HAANWHGVSA-N
Species of MetaboliteComponentSourceComments
Brachystemma calycinum (IPNI:151926-1) aerial part (BTO:0001658) PubMed (21634415) 95% aqueous ethanolic extract of sun-dreid and powdered aerial parts
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)
rel-Cyclo-(Pro-Pro-Ala-Gly-Leu-Ala-Thr-Phe) (CHEBI:69768) has role metabolite (CHEBI:25212)
rel-Cyclo-(Pro-Pro-Ala-Gly-Leu-Ala-Thr-Phe) (CHEBI:69768) is a peptide (CHEBI:16670)
Citations