Heme c

CAS Registry Number®

26598-29-8
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CAS Name

Heme c

Molecular Formula

C40H42FeN6O8S2.4H

Cite this Page

Heme c.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=26598-29-8 (retrieved 2024-04-20) (CAS RN: 26598-29-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C40H48N6O8S2.Fe/c1-17-23(7-9-35(47)48)31-14-32-24(8-10-36(49)50)18(2)28(44-32)12-33-38(22(6)56-16-26(42)40(53)54)20(4)30(46-33)13-34-37(21(5)55-15-25(41)39(51)52)19(3)29(45-34)11-27(17)43-31;/h11-14,21-22,25-26H,7-10,15-16,41-42H2,1-6H3,(H6,43,44,45,46,47,48,49,50,51,52,53,54);/q;+2/p-2/b27-11-,28-12-,29-11?,30-13-,31-14?,32-14-,33-12?,34-13?;

InChIKey

InChIKey=WKYVSAJNXWVOCL-QTOZEIQFSA-L

SMILES

C(SCC(C([O-])=O)N)(C)C=1C=2[N]=3[Fe+2]45[N-]6C(=CC3C1C)C(C(SCC(C([O-])=O)N)C)=C(C)C6=CC7=[N]4C(=CC=8[N-]5C(C2)=C(C)C8CCC([O-])=O)C(CCC([O-])=O)=C7C.[H+]

Canonical SMILES

[H+].O=C([O-])CCC=1C=2C=C3C(=C(C4=CC=5C(=C(C6=CC7=C(C(=C8C=C(C1C)[N]2[Fe+2]([N]65)([N-]43)[N-]87)C)C(SCC(N)C(=O)[O-])C)C)C(SCC(N)C(=O)[O-])C)C)CCC(=O)[O-]

Other Names for this Substance

  • Ferrate(4-), [7,12-bis[(1S)-1-[(2-amino-2-carboxyethyl)thio]ethyl]-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(6-)-κN21,κN22,κN23,κN24]-, hydrogen (1:4), (SP-4-2)-
  • Hemin, dicysteine deriv.
  • Ferrate(4-), [7,12-bis[1-[(2-amino-2-carboxyethyl)thio]ethyl]-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(6-)-κN21,κN22,κN23,κN24]-, tetrahydrogen, [SP-4-2-[S-(R*,R*)]]-
  • Ferrate(4-), [7,12-bis[(1S)-1-[(2-amino-2-carboxyethyl)thio]ethyl]-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(6-)-κN21,κN22,κN23,κN24]-, tetrahydrogen, (SP-4-2)-
  • 21H,23H-Porphine-2,18-dipropanoic acid, 7,12-bis[1-[(2-amino-2-carboxyethyl)thio]ethyl]-3,8,13,17-tetramethyl-, iron complex, [S-(R*,R*)]-

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