Chemical Compound

heme C

CAS Registry Number 26598-29-8
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heme C chemical structure
Primary Record

heme C

In stock
8,194 g
Purity
99.3 %
CAS
26598-29-8

Compound Identifiers & Properties

CAS
26598-29-8
PubChem CID
122208
SMILES
[H+].[H+].[H+].[H+].CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C(C)SCCC(C(=O)[O-])N)C)C(C)SCCC(C(=O)[O-])N)C)C(=C3CCC(=O)[O-])C)CCC(=O)[O-].[Fe+2]
Canonical SMILES
CC1=C(CCC(=O)[O-])c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(C)c5C(C)SCCC(N)C(=O)[O-])C(C)=C4C(C)SCCC(N)C(=O)[O-])c(C)c3CCC(=O)[O-].[Fe+2].[H+].[H+].[H+].[H+]

Names & Synonyms

  • heme C
  • C40H42FeN6O8S2.4H
  • CID122208
  • CID 122208
  • C40-H42-Fe-N6-O8-S2.4H
  • 26598-29-8
  • Ferrate(4-), (7,12-bis(1-((2-amino-2-carboxyethyl)thio)ethyl)-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(6-)-N21,N22,N23,N24)-, tetrahydrogen, (SP-4-2-(S-(R*,R*)))-