CHEBI:58685 - 3''-deamino-3''-oxonicotianaminium(1−)

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ChEBI Name 3''-deamino-3''-oxonicotianaminium(1−) ChEBI ID CHEBI:58685 ChEBI ASCII Name 3''-deamino-3''-oxonicotianaminium(1-) Definition Conjugate base of 3''-deamino-3''-oxonicotianamine. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C12H17N2O7 Net Charge -1 Average Mass 301.27260 Monoisotopic Mass 301.10412 InChI InChI=1S/C12H18N2O7/c15-9(12(20)21)1-4-13-7(10(16)17)2-5-14-6-3-8(14)11(18)19/h7-8,13H,1-6H2,(H,16,17)(H,18,19)(H,20,21)/p-1/t7-,8-/m0/s1 InChIKey PSBHIGYNXQIUQY-YUMQZZPRSA-M SMILES [O-]C(=O)[C@H](CC[NH+]1CC[C@H]1C([O-])=O)[NH2+]CCC(=O)C([O-])=O ChEBI Ontology Outgoing 3''-deamino-3''-oxonicotianaminium(1−) (CHEBI:58685) is a tricarboxylic acid anion (CHEBI:35753) 3''-deamino-3''-oxonicotianaminium(1−) (CHEBI:58685) is conjugate base of 3''-deamino-3''-oxonicotianamine (CHEBI:38160) Incoming 3''-deamino-3''-oxonicotianamine (CHEBI:38160) is conjugate acid of 3''-deamino-3''-oxonicotianaminium(1−) (CHEBI:58685) IUPAC Name (2S)-1-{(3S)-3-carboxylato-3-[(3-carboxylato-3-oxopropyl)azaniumyl]propyl}azetidinium-2-carboxylate Synonym Source 3''-deamino-3''-oxonicotianamine UniProt Last Modified 16 May 2014