Compound: DOTA
SMILES: O=C(O)CN1CCN(CCN(CC(=O)O)CCN(CC1)CC(=O)O)CC(=O)O
InChIKey: WDLRUFUQRNWCPK-UHFFFAOYSA-N
Synonyms: DOTA, Tetraxetan, 60239-18-1, 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, Dota acid, 2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid, 1,4,7,10-Tetraazacyclododecane-N,N',N'',N'''-tetraacetic acid, 1,4,7,10-Dota, DOT-A, 2,2',2'',2'''-(1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl)tetraacetic acid, 1HTE449DGZ, NSC-681107, CHEBI:61028, DTXSID60208984, 2,2',2'',2'''-(1,4,7,10-TETRAAZACYCLODODECANE-1,4,7,10-TETRYL)TETRAACETIC ACID, 2-(4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl)acetic acid, RefChem:188911, DTXCID10131475, 1,4,7,10-Tetraazacyclododecane--N,N',N'',N'''-tetraacetic acid, MFCD00068657, Gadobutrol impurity 1, MLS001333612, 2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl]acetic acid, Tetraxetan (USAN), NSC681107, SMR000857276, TETRAXETAN [USAN], 2,2',2',2'''-(1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetryl)tetraacetic acid, C16H28N4O8, UNII-1HTE449DGZ, tetraxetanum, gadoterate-meglumine, NSC 681107, Gadobutrol Impurity 35, TETRAXETAN [INN], Tetraxetan [USAN:INN], DOTA (TETRAXETAN), Tritracine tetraacetic acid, DOTA [MI], Epitope ID:146095, TETRAXETAN [USP-RS], SCHEMBL18018, cid_121841, GTPL5538, CHEMBL1721515, BDBM88700, GLXC-02843, HMS2236N04, HMS3373H02, TETRAXETAN [USP MONOGRAPH], EBC-29057, AKOS015854210, FT58676, NCGC00246979-01, AC-31772, AS-19566, NCI60_028933, SY057414, CS-0046228, NS00006315, T1875, D06092, F16414, SBI-0654077.0001, EN300-6503719, F602191, Q161515, BRD-K11099631-001-07-6, BRD-K11099631-001-08-4, Z2681893158, 1,4,7,10-tetraazacyclododecane N,N',N",N'"-tetraacetic acid, 1,4,7,10-tetraazacyclododecane- 1,4,7,10-tetraacetic acid, ,4,7,10-Tetraazacyclododecane-N,N',N'',N'''-tetraacetic acid, 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, >=97.0% (CHN), 1,4,7,10-Tetraazacyclododecane-N,N',N'',N'''-tetraacetic acid, min. 98% DOTA, 2-[4,7,10-tris(2-hydroxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid, Tetraxetan; NSC 681107; DOTA; 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid; 2,2',2'',2'''-(1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl)tetraacetic acid
Theoretical properties:
molecular_formula: C16H28N4O8
molecular_weight: 404.42 g/mol
exact_mass: 404.19071386 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 4
hydrogen_bond_acceptor_count: 12
rotatable_bond_count: 8
heavy_atom_count: 28
topological_polar_surface_area: 162 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
{"pubchem": "DOTA is an azamacrocyle in which four nitrogen atoms at positions 1, 4, 7 and 10 of a twelve-membered ring are each substituted with a carboxymethyl group. It has a role as a copper chelator and a chelator. It derives from a hydride of a 1,4,7,10-tetraazacyclododecane.", "chebi": "An azamacrocyle in which four nitrogen atoms at positions 1, 4, 7 and 10 of a twelve-membered ring are each substituted with a carboxymethyl group.", "chembl": "TETRAXETAN is a small molecule listed in the ChEMBL database and has reached clinical trial phase 3.0.", "wikipedia": "Dota is a series of strategy video games. The series began in 2003 with the release of Defense of the Ancients (DotA), a fan-developed action real time strategy (ARTS) custom map for the video game Warcraft III: Reign of Chaos and its expansion, The Frozen Throne. The original map features gameplay designed around two teams of up to five players who assume control of individual characters called \"heroes\", which must coordinate to destroy the enemy's central base structure called an \"Ancient\", to win the game. Ownership and development of DotA were passed on multiple times since its initial release until Valve hired the map's lead designer IceFrog and after a legal dispute with Blizzard Entertainment, the developer of Warcraft III, brokered a deal that allowed Valve to inherit the trademark to the Dota name.\nThe first standalone installment in the series, Dota 2, was released by Valve in July 2013. A sequel to DotA, the game retains the same gameplay elements as its predecessor, while introducing new support and mechanics, as well as a setting separate from the Warcraft universe. Artifact, a digital collectible card game with mechanics inspired by Dota 2, was released in 2018. Dota Underlords, an auto battler based on the community-created Dota 2 mod Dota Auto Chess, was released in 2020.\nThe original DotA map is considered one of the most popular of all time, with tens of millions of players and a consistent presence at esports tournaments throughout the 2000s. DotA is considered a catalyst for the ARTS genre, establishing core gameplay mechanics that defined later titles and inspiring developers to create other games similar to it. Likewise, Dota 2 is cited as one of the greatest video games of all time, with an esports presence hallmarked by record-breaking prize pools that culminate in the annual championship known as The International. The spinoff games by Valve have been positively received, although Artifact was considered a failure as a large majority of its initial player base was lost within weeks with Valve stopping development on it shortly after its release."}