Chemical Compound

Precorrin 1

Precorrin 1 chemical structure
Primary Record

Precorrin 1

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
101362747
SMILES
C[C@@]\1([C@@H](/C/2=C/C3=C(C(=C(N3)CC4=C(C(=C(N4)CC5=C(C(=C(N5)/C=C1\N2)CC(=O)O)CCC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O
Canonical SMILES
C[C@@]1(CC(=O)O)/C2=C/c3[nH]c(c(CCC(=O)O)c3CC(=O)O)Cc3[nH]c(c(CC(=O)O)c3CCC(=O)O)Cc3[nH]c(c(CC(=O)O)c3CCC(=O)O)/C=C(\N2)[C@H]1CCC(=O)O

Names & Synonyms

  • Precorrin 1
  • J2.117.346K
  • (12S,13S)-3,8,13,17beta-Tetrakis(carboxymethyl)-13-methyl-5,12,13,20,22,24-hexahydro-21H,23H-porphyrin-2,7,12,18-tetrapropanoic acid
  • 3-[(2Z,4S,5S,6Z)-10,14,19-tris(2-carboxyethyl)-5,9,15,20-tetrakis(carboxymethyl)-5-methyl-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,6,8,10,13,15,18-octaen-4-yl]propanoic acid