Chemical Compound

precorrin-5

precorrin-5 chemical structure
Primary Record

precorrin-5

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
5280932
SMILES
CC(=O)C12C3=C([C@@](C(=N3)CC4=N[C@@](CC5=C([C@](C(=N5)/C=C(\N1)/[C@H]([C@]2(C)CC(=O)O)CCC(=O)O)(C)CC(=O)O)CCC(=O)O)(C(=C4CCC(=O)O)CC(=O)O)C)(C)CCC(=O)O)CC(=O)O
Canonical SMILES
CC(=O)C12N/C(=C\C3=NC(=C(CCC(=O)O)[C@]3(C)CC(=O)O)C[C@]3(C)N=C(CC4=NC1=C(CC(=O)O)[C@@]4(C)CCC(=O)O)C(CCC(=O)O)=C3CC(=O)O)[C@@H](CCC(=O)O)[C@]2(C)CC(=O)O

Names & Synonyms

  • precorrin-5
  • Precorrin 5
  • AC1NQXS4
  • RefChem:175791
  • CHEBI:27630
  • SCHEMBL29598943
  • CID5280932
  • C06416
  • J2.763.198C
  • Q27103234
  • 3,3',3'',3'''-[(2S,3S,7S,11S,17R)-1-acetyl-2,7,12,18-tetrakis(carboxymethyl)-2,7,11,17-tetramethyl-18,19-didehydrocorrin-3,8,13,17-tetrayl]tetrapropanoic acid
  • 3-[(2S,3S,4Z,7S,11S,17R)-1-acetyl-8,13,17-tris(2-carboxyethyl)-2,7,12,18-tetrakis(carboxymethyl)-2,7,11,17-tetramethyl-3,10,15,21-tetrahydrocorrin-3-yl]propanoic acid
  • (11S)-1-Acetyl-2beta,7beta,12,18-tetrakis(carboxymethyl)-2,7,11,17-tetramethyl-22,23-didehydro-1,2,3,7,10,11,15,17-octahydrocorrole-3alpha,8,13,17alpha-tetrapropanoic acid
  • 3,3',3'',3'''-((2S,3S,7S,11S,17R)-1-acetyl-2,7,12,18-tetrakis(carboxymethyl)-2,7,11,17-tetramethyl-18,19-didehydrocorrin-3,8,13,17-tetrayl)tetrapropanoic acid
  • 3-[(3S,4S,5Z,8S,12S,18R)-2-acetyl-9,14,18-tris(2-carboxyethyl)-3,8,13,19-tetrakis(carboxymethyl)-3,8,12,18-tetramethyl-20,21,22,23-tetraazapentacyclo[15.2.1.12,5.17,10.112,15]tricosa-1(19),5,7(22),9,13,15(21),17(20)-heptaen-4-yl]propanoic acid