Chemical Compound

Precorrin 3A

Precorrin 3A chemical structure
Primary Record

Precorrin 3A

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
5280811
SMILES
C/C/1=C/2\[C@@]([C@@H](C(=N2)/C=C\3/[C@@]([C@@H](/C(=C/C4=C(C(=C(N4)CC5=C(C(=C1N5)CC(=O)O)CCC(=O)O)CCC(=O)O)CC(=O)O)/N3)CCC(=O)O)(C)CC(=O)O)CCC(=O)O)(C)CC(=O)O
Canonical SMILES
C/C1=C2/N=C(/C=C3\N/C(=C\c4[nH]c(c(CCC(=O)O)c4CC(=O)O)Cc4[nH]c1c(CC(=O)O)c4CCC(=O)O)[C@@H](CCC(=O)O)[C@]3(C)CC(=O)O)[C@@H](CCC(=O)O)[C@]2(C)CC(=O)O

Names & Synonyms

  • Precorrin 3A
  • precorrin-3A
  • AC1NQXMN
  • SCHEMBL29598799
  • CHEBI:28307
  • CID5280811
  • C05772
  • J634.033D
  • 3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13,15-trimethyl-7,8,12,13,20,24-hexahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoic acid
  • 3-[(1Z,2S,3S,4Z,7S,8S,9Z)-7,13,17-tris(2-carboxyethyl)-3,8,12,18-tetrakis(carboxymethyl)-3,8,10-trimethyl-2,7,15,21,23,24-hexahydroporphyrin-2-yl]propanoic acid
  • (2S)-2beta,7beta,12,18-Tetrakis(carboxymethyl)-2,3,7,8,15,24-hexahydro-2,7,20-trimethyl-21H,23H-porphyrin-3alpha,8alpha,13,17-tetrapropanoic acid
  • 3-[(2Z,4S,5S,6Z,17Z,19S,20S)-10,14,19-tris(2-carboxyethyl)-5,9,15,20-tetrakis(carboxymethyl)-5,7,20-trimethyl-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),2,6,8,10,13,15,17-octaen-4-yl]propanoic acid