CHEBI:79399 - Piperazine citrate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Piperazine citrate
ChEBI ID CHEBI:79399
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C24H46N6O14
Net Charge 0
Average Mass 642.65380
Monoisotopic Mass 642.30720
InChI InChI=1S/2C6H8O7.3C4H10N2/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;3*1-2-6-4-3-5-1/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3*5-6H,1-4H2
InChIKey JDDHUROHDHPVIO-UHFFFAOYSA-N
SMILES C1CNCCN1.OC(CC(CC(=O)O)(O)C(=O)O)=O.C2CNCCN2.C3CNCCN3.OC(CC(CC(=O)O)(O)C(=O)O)=O
ChEBI Ontology
Outgoing Piperazine citrate (CHEBI:79399) is a polymer (CHEBI:60027)
Manual Xref Database
C13660 KEGG COMPOUND
View more database links
Registry Number Type Source
144-29-6 CAS Registry Number KEGG COMPOUND