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CHEBI:85129 - ristocetin

ChEBI IDCHEBI:85129
ChEBI Nameristocetin
Stars
DefinitionA heterodetic cyclic peptide that is produced by species of Amycolatopsis and Nocardia.
Last Modified23 April 2015
SubmitterSteve
DownloadsMolfile
FormulaC95H110N8O44
Net Charge0
Average Mass2067.937
Monoisotopic Mass2066.66159
SMILES[H][C@]1(C(=O)OC)NC(=O)[C@H]2NC(=O)[C@H](NC(=O)[C@@H]3NC(=O)[C@H]4NC(=O)[C@H](NC(=O)[C@H](N)c5ccc(O)c(c5)Oc5cc4cc(O)c5C)[C@H](O)c4ccc(cc4)Oc4cc3cc(c4O[C@@H]3O[C@H](COC4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]3O[C@@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)Oc3ccc(cc3)[C@H]2O[C@@H]2C[C@@H](N)[C@@H](O)[C@H](C)O2)c2ccc(O)c(c2)-c2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc(O)cc21
InChIInChI=1S/C95H110N8O44/c1-30-47(109)18-37-20-49(30)139-50-19-35(9-16-46(50)108)59(97)84(125)102-64-68(113)33-5-11-40(12-6-33)137-52-21-38-22-53(81(52)145-95-83(76(121)72(117)56(143-95)29-134-91-78(123)73(118)67(112)32(3)136-91)147-94-82(75(120)71(116)55(27-105)142-94)146-92-77(122)69(114)48(110)28-133-92)138-41-13-7-34(8-14-41)80(144-57-25-44(96)66(111)31(2)135-57)65-89(130)101-63(90(131)132-4)43-23-39(106)24-51(140-93-79(124)74(119)70(115)54(26-104)141-93)58(43)42-17-36(10-15-45(42)107)60(85(126)103-65)98-87(128)62(38)99-86(127)61(37)100-88(64)129/h5-24,31-32,44,48,54-57,59-80,82-83,91-95,104-124H,25-29,96-97H2,1-4H3,(H,98,128)(H,99,127)(H,100,129)(H,101,130)(H,102,125)(H,103,126)/t31-,32-,44+,48+,54+,55-,56+,57+,59+,60+,61-,62+,63-,64+,65-,66-,67-,68+,69+,70+,71-,72+,73+,74-,75+,76-,77-,78+,79-,80+,82+,83+,91?,92-,93+,94-,95-/m0/s1
InChIKeyVUOPFFVAZTUEGW-FBMDODLCSA-N
Species of MetaboliteComponentSourceComments
Amycolatopsis sp. (ncbitaxon:37632) - PubMed (25359910) Strain: MJM2582
Amycolatopsis lurida (ncbitaxon:1460371) - PubMed (25323720) Strain: NRRL 2430
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
antibacterial drug  A drug used to treat or prevent bacterial infections.
platelet-activating factor receptor agonist  An agonist that binds to and activates platelet-activating factor receptors.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
Application:
antibacterial drug  A drug used to treat or prevent bacterial infections.
ChEBI Ontology
Outgoing Relation(s)
ristocetin (CHEBI:85129) has role antibacterial drug (CHEBI:36047)
ristocetin (CHEBI:85129) has role antimicrobial agent (CHEBI:33281)
ristocetin (CHEBI:85129) has role bacterial metabolite (CHEBI:76969)
ristocetin (CHEBI:85129) has role platelet-activating factor receptor agonist (CHEBI:75414)
ristocetin (CHEBI:85129) is a glycopeptide (CHEBI:24396)
ristocetin (CHEBI:85129) is a heterodetic cyclic peptide (CHEBI:24533)
ristocetin (CHEBI:85129) is a macrocycle (CHEBI:51026)
ristocetin (CHEBI:85129) is a tetrasaccharide derivative (CHEBI:63567)
INN  Source
ristocetinaChemIDplus
Registry NumbersSources
CAS:1404-55-3ChemIDplus
Citations