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

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ChEBI Name	bis(S-citronellalthiosemicarbazonato)nickel(II)

ChEBI ID	CHEBI:156433

ChEBI ASCII Name	bis(S-citronellalthiosemicarbazonato)nickel(II)

Definition	A nickel coordination entity that is (S)-citronellalthiosemicarbazonate complexed with nickel in a 2:1 ratio. It induces apoptosis and exhibits anticancer properties.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Rob Nash

Supplier Information

Download	Molfile XML SDF

Formula

C22H42N6NiS2

Net Charge

Average Mass

513.430

Monoisotopic Mass

512.22658

InChI

InChI=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

InChIKey

XMGOHRCUEWOPPR-BODQBXHRSA-N

SMILES

C[C@@H](CCCC=C(C)C)\C=[N+]1\NC(N)=[S][Ni--]11[S]=C(N)N\[N+]1=C\[C@@H](C)CCCC=C(C)C

Roles Classification
Biological Role(s):	apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.

Application(s):	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology
Outgoing	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

Last Modified

18 September 2020