Chemical Compound

Diacetyldeuteroheme

CAS Registry Number 39011-04-6
Diacetyldeuteroheme chemical structure
Primary Record

Diacetyldeuteroheme

In stock
7,264 g
Purity
99.0 %
CAS
39011-04-6

Compound Identifiers & Properties

CAS
39011-04-6
PubChem CID
5491977
SMILES
[H+].[H+].CC1=C(C2=CC3=NC(=CC\4=NC(=C(/C4=C(/C)\[O-])C)C=C5C(=C(C(=N5)C=C1[N-]2)C)C(=O)C)C(=C3CCC(=O)[O-])C)CCC(=O)[O-].[Fe+2]
Canonical SMILES
CC(=O)C1=C(C)C2=NC1=CC1=C(C)/C(=C(/C)[O-])C(=N1)C=C1N=C(C=c3[n-]c(c(C)c3CCC(=O)[O-])=C2)C(CCC(=O)[O-])=C1C.[Fe+2].[H+].[H+]

Names & Synonyms

  • Diacetyldeuteroheme
  • AC1NUSRG
  • CID5491977
  • CID 5491977
  • 39011-04-6
  • 3-[(13E)-8-acetyl-18-(2-carboxylatoethyl)-3,7,12,17-tetramethyl-13-(1-oxidoethylidene)porphyrin-21-id-2-yl]propanoate;hydron;iron(2+)
  • 3-[(13E)-8-acetyl-3,7,12,17-tetramethyl-13-(1-oxidoethylidene)-18-(3-oxido-3-oxopropyl)porphyrin-21-id-2-yl]propanoate; hydron; iron(2+)
  • Ferrate(2-), (7,12-diacetyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-N21,N22,N23,N24)-, dihydrogen, (SP-4-2)-