Chemical Compound
3-[(1S,3R,4R,8S,13S,14S,18S,19S)-13,18-bis(2-carboxyethyl)-3,14,19-tris(carboxymethyl)-4-(2-{[(2R)-2-[({[(2R,3S,4R,5S)-4,5-dihydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}(hydroxy)phosphoryl)oxy]propyl]carbamoyl}ethyl)-1,4,6,9,9,14,16,19-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.12,5.17,10.112,15]tricosa-5,7(22),10,12(21),15,17(20)-hexaen-8-yl]propanoic acid
Primary record
3-[(1S,3R,4R,8S,13S,14S,18S,19S)-13,18-bis(2-carboxyethyl)-3,14,19-tris(carboxymethyl)-4-(2-{[(2R)-2-[({[(2R,3S,4R,5S)-4,5-dihydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}(hydroxy)phosphoryl)oxy]propyl]carbamoyl}ethyl)-1,4,6,9,9,14,16,19-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.12,5.17,10.112,15]tricosa-5,7(22),10,12(21),15,17(20)-hexaen-8-yl]propanoic acid
- 库存
- 550 克
- 纯度
- 98.1 %
化合物标识与属性
- PubChem CID
- 177577502
- SMILES
- C/C/1=C/2\[C@@]([C@@H](/C(=C/C3=N/C(=C(\C4=NC([C@@H]([C@@]4(C)CCC(=O)NC[C@@H](C)OP(=O)(O)O[C@@H]5[C@H](O[C@@H]([C@@H]5O)O)CO)CC(=O)O)[C@@]6([C@@]([C@@H](C1=N6)CCC(=O)O)(C)CC(=O)O)C)/C)/[C@H](C3(C)C)CCC(=O)O)/N2)CCC(=O)O)(C)CC(=O)O
- Canonical SMILES
- C/C1=C2/N=C(/C=C3\N/C(=C(/C)C4=N[C@](C)(C5N=C1[C@](C)(CCC(=O)NC[C@@H](C)OP(=O)(O)O[C@H]1[C@@H](O)[C@@H](O)O[C@@H]1CO)[C@H]5CC(=O)O)[C@@](C)(CC(=O)O)[C@@H]4CCC(=O)O)[C@@](C)(CC(=O)O)[C@@H]3CCC(=O)O)C(C)(C)[C@@H]2CCC(=O)O
名称与同义词
- The ligand of cobamic acid
- J1.321.206F
- 1alpha,2alpha,5,7alpha,12,12,15,17beta-Octamethyl-2,7,18beta-tri(carboxymethyl)-17-[2-[[(2R)-2-(3-deoxy-alpha-D-ribofuranose-3-yloxyphosphonyloxy)propyl]carbamoyl]ethyl]corrin-3alpha,8alpha,13alpha-tris(propionic acid)
- 3-[(1S,3R,4R,8S,13S,14S,18S,19S)-13,18-bis(2-carboxyethyl)-3,14,19-tris(carboxymethyl)-4-(2-{[(2R)-2-[({[(2R,3S,4R,5S)-4,5-dihydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}(hydroxy)phosphoryl)oxy]propyl]carbamoyl}ethyl)-1,4,6,9,9,14,16,19-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.12,5.17,10.112,15]tricosa-5,7(22),10,12(21),15,17(20)-hexaen-8-yl]propanoic acid