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

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ChEBI Name rel-Cyclo-(Pro-Pro-Ala-Gly-Leu-Ala-Thr-Phe)
ChEBI ID CHEBI:69768
Definition A natural product found in Brachystemma calycinum.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C38H54N8O10
Net Charge 0
Average Mass 782.88300
Monoisotopic Mass 782.39629
InChI InChI=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
InChIKey NFDQDZSUTPQHRB-HAANWHGVSA-N
SMILES CC(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](NC(=O)[C@H](C)C(=O)N1)[C@@H](C)O
Metabolite of Species Details
Brachystemma calycinum (IPNI:151926-1) Found in aerial part (BTO:0001658). 95% aqueous ethanolic extract of sun-dreid and powdered aerial parts 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 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)
Citation Waiting for Citations Type Source
21634415 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:dicarboximide(CHEBI:35356); ISA:benzenes(CHEBI:22712); ISA:carbonyl compound(CHEBI:36586); 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);