(4S,6S)-4-(2-Carboxyethyl)-4,5,6,7-tetrahydro-3H-imidazo(4,5-c)pyridine-4,6-dicarboxylic acid
Basic information
- CAS
110342-24-0- Standard SMILES
O=C(O)CC[C@]1(C(=O)O)N[C@H](C(=O)O)Cc2[nH]cnc21- InChIKey
XGCZNSAJOHDWQS-KGFZYKRKSA-N- Molecular formula
- C11H13N3O6
- Average molar mass
- 283.24 g/mol
- Monoisotopic mass
- 283.08043514
Overview
Cucumopine is a non-proteinogenic alpha-amino acid.
Names & identifiers
- Preferred name
- (4S,6S)-4-(2-Carboxyethyl)-4,5,6,7-tetrahydro-3H-imidazo(4,5-c)pyridine-4,6-dicarboxylic acid
- IUPAC
- (4S,6S)-4-(2-carboxyethyl)-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,6-dicarboxylic acid
- English name
- cucumopine
- Molecular formula
- C11H13N3O6
- Molecular weight
- 283.24
Names & synonyms
Cucumopine110342-24-0(4S,6S)-4-(2-carboxyethyl)-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,6-dicarboxylic acid(4S,6S)-4-(2-Carboxyethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-4,6-dicarboxylic acidDTXSID30149219(4S,6S)-4-(2-carboxyethyl)-1,5,6,7-tetrahydroimidazo(4,5-c)pyridine-4,6-dicarboxylic acid(4S,6S)-4-(2-Carboxyethyl)-4,5,6,7-tetrahydro-3H-imidazo(4,5-c)pyridine-4,6-dicarboxylic acidRefChem:906163DTXCID4071710MikimopineAC1L9BBMCTK0H8530
Show more names
4-Carboxy-4-(2-carboxyethyl)spinacine4,6-Dicarboxy-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-propanoic acid3H-Imidazo[4,5-c]pyridine-4,6-dicarboxylic acid, 4-(2-carboxyethyl)-4,5,6,7-tetrahydro-, (4S,6S)-
(4S,6S)-4-(2-carboxyethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-4,6-dicarboxylic Acid; 4-Carboxy-4-(2-carboxyethyl)spinacine; (4S-trans)-4-(2-carboxyethyl)-4,5,6,7-tetrahydro-1H-Imidazo[4,5-c]pyridine-4,6-dicarboxylic AcidCHEBI:3937MFCD28336943AKOS030241548(4S,6S)-4-(2-carboxyethyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4,6-dicarboxylic acid3H-Imidazo[4,5-c]pyridine-4,6-dicarboxylicacid, 4-(2-carboxyethyl)-4,5,6,7-tetrahydro-, (4S,6S)-C08475Q27106257
Properties
Computed structural properties
- XLogP
- -3.6
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 442
Physicochemical properties
- Melting point
- 208 °C · >208°C (dec.)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- Aqueous Base (Slightly), Water (Slightly)
- form
- Solid
- color
- White to Off-White
Chemistry & industry
Applications
UsesCucumopine is used in biological studies to evaluate Agrobacterium rhizogenes cucumopine strain T-DNA ORF8 and its effects on transgenic tobacco root cultures.
Additional notes
DefinitionChEBI: Cucumopine is a non-proteinogenic alpha-amino acid.
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