EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:194425 - (R,R,S)-lobaplatin

ChEBI IDCHEBI:194425
ChEBI Name(R,R,S)-lobaplatin
Stars
ASCII Name(R,R,S)-lobaplatin
DefinitionThe (R,R,S)-isomer of lobaplatin.
Last Modified21 February 2023
SubmitterAdnan
DownloadsMolfile
FormulaC9H18N2O3Pt
Net Charge0
Average Mass397.332
Monoisotopic Mass397.09653
SMILES[H][N]1([H])C[C@@H]2CC[C@H]2C[N]([H])([H])[Pt]12[O]C(=O)[C@H](C)[O]2
InChIInChI=1S/C6H14N2.C3H5O3.Pt/c7-3-5-1-2-6(5)4-8;1-2(4)3(5)6;/h5-6H,1-4,7-8H2;2H,1H3,(H,5,6);/q;-1;+2/p-1/t5-,6-;2-;/m00./s1
InChIKeyRLXPIABKJFUYFG-DOYDWZMXSA-M
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
(R,R,S)-lobaplatin (CHEBI:194425) has part (S)-lactate (CHEBI:16651)
(R,R,S)-lobaplatin (CHEBI:194425) has role antineoplastic agent (CHEBI:35610)
(R,R,S)-lobaplatin (CHEBI:194425) is a platinum coordination entity (CHEBI:33862)
Incoming Relation(s)
lobaplatin (CHEBI:192744) has part (R,R,S)-lobaplatin (CHEBI:194425)
IUPAC Name 
(1R,4'S,7R)-4'-methyl-2',5'-dioxa-3,5-diaza-4-platinaspiro[bicyclo[5.2.0]nonane-4,1'-cyclopentan]-3'-one