CHEBI:135842 - pentigetide

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ChEBI Name pentigetide
ChEBI ID CHEBI:135842
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H36N8O11
Net Charge 0
Average Mass 588.569
Monoisotopic Mass 588.25035
InChI InChI=1S/C22H36N8O11/c23-10(7-15(32)33)17(36)29-13(9-31)18(37)28-12(8-16(34)35)20(39)30-6-2-4-14(30)19(38)27-11(21(40)41)3-1-5-26-22(24)25/h10-14,31H,1-9,23H2,(H,27,38)(H,28,37)(H,29,36)(H,32,33)(H,34,35)(H,40,41)(H4,24,25,26)/t10-,11-,12-,13-,14-/m0/s1
InChIKey KQDIGHIVUUADBZ-PEDHHIEDSA-N
SMILES [H]N[C@@H](CC(O)=O)C(N[C@@H](CO)C(N[C@@H](CC(O)=O)C(N1CCC[C@H]1C(N[C@@H](CCCNC(N)=N)C(O)=O)=O)=O)=O)=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing pentigetide (CHEBI:135842) is a oligopeptide (CHEBI:25676)
Synonym Source
pentyde DrugCentral
Manual Xrefs Databases
3425 DrugCentral
HMDB0038221 HMDB
View more database links
Registry Number Type Source
62087-72-3 CAS Registry Number DrugCentral
Last Modified
23 February 2017