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CHEBI:156433 - bis(S-citronellalthiosemicarbazonato)nickel(II)

Default Structure
ChEBI IDCHEBI:156433
ChEBI Namebis(S-citronellalthiosemicarbazonato)nickel(II)
Stars
ASCII Namebis(S-citronellalthiosemicarbazonato)nickel(II)
DefinitionA nickel coordination entity that is (S)-citronellalthiosemicarbazonate complexed with nickel in a 2:1 ratio. It induces apoptosis and exhibits anticancer properties.
Last Modified18 September 2020
Submitterrnash
DownloadsMolfile
FormulaC22H44N6NiS2
Net Charge0
Average Mass515.463
Monoisotopic Mass514.24223
SMILESCC(C)=CCCC[C@H](C)/C=[N+]1/NC(N)=[SH][Ni-2]12[SH]=C(N)N/[N+]2=C/[C@@H](C)CCCC=C(C)C
InChIInChI=1S/2C11H21N3S.Ni/c2*1-9(2)6-4-5-7-10(3)8-13-14-11(12)15;/h2*6,8,10H,4-5,7H2,1-3H3,(H3,12,14,15);/b2*13-8+;/t2*10-;/m00./s1
InChIKeyXMGOHRCUEWOPPR-BODQBXHRSA-N
Roles Classification
Biological Role:
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
bis(S-citronellalthiosemicarbazonato)nickel(II) (CHEBI:156433) has functional parent (S)-citronellalthiosemicarbazonate (CHEBI:156466)
bis(S-citronellalthiosemicarbazonato)nickel(II) (CHEBI:156433) has role antineoplastic agent (CHEBI:35610)
bis(S-citronellalthiosemicarbazonato)nickel(II) (CHEBI:156433) has role apoptosis inducer (CHEBI:68495)
bis(S-citronellalthiosemicarbazonato)nickel(II) (CHEBI:156433) is a nickel coordination entity (CHEBI:35438)
IUPAC Name 
bis[2-(2,7-dimethyloct-6-en-1-ylidene)hydrazine-1-carbothioamide-κ2N2,S]nickel
Synonyms  Source
Ni(S-tcitr)2SUBMITTER
Ni(tcitr)2SUBMITTER
Citations