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Substance Name: Ferri-heme undecapeptide
RN: 30975-71-4
InChIKey: HRODGVPZCOYIMV-VTNCYIAFSA-L

Note

  • Corresponds to residues 11 to 21 of cytochrome c bound to ferriheme; has peroxidase activity.

Molecular Formula

  • C84-H112-Fe-N20-O21-S2.4H

Molecular Weight

  • 1861.9364
 
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Names and Synonyms

Name of Substance

  • Ferri-heme undecapeptide

Synonyms

  • Ferriheme undecapeptide
  • Heme undecapeptide, cytochrome C
  • Heme undecapeptides, anionized
  • Heme undecapeptides, cationized
  • Mupx-11

Systematic Name

  • Ferrate(4-), (L-valyl-L-glutaminyl-L-lysyl-L-cysteinyl-L-alanyl-L-glutaminyl-L-cysteinyl-L-histidyl-L-threonyl-L-valyl-L-glutamic acid cyclic (4-12'),(7-7')-bis(sulfide) with 7,12-bis(1-mercaptoethyl)-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(6-)-N21,N22,N23,N24)-, tetrahydrogen

Registry Numbers

CAS Registry Number

  • 30975-71-4

System Generated Number

  • 0030975714

Molecular Formulas

Molecular Formula

  • C84-H112-Fe-N20-O21-S2.4H

Molecular Formula Fragments

  • C84-H112-Fe-N20-O21-S2
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/C84H118N20O21S2.Fe/c1-36(2)71(88)81(121)98-51(19-22-65(87)107)76(116)97-49(15-13-14-26-85)75(115)101-62-33-126-44(11)69-40(7)55-28-53-38(5)47(16-23-66(108)109)57(92-53)31-58-48(17-24-67(110)111)39(6)54(93-58)29-59-70(41(8)56(95-59)30-60(69)94-55)45(12)127-34-63(102-77(117)50(18-21-64(86)106)96-74(114)42(9)91-79(62)119)80(120)100-61(27-46-32-89-35-90-46)78(118)104-73(43(10)105)83(123)103-72(37(3)4)82(122)99-52(84(124)125)20-25-68(112)113;/h28-32,35-37,42-45,49-52,61-63,71-73,105H,13-27,33-34,85,88H2,1-12H3,(H21,86,87,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120,121,122,123,124,125);/q;+2/p-2/b53-28-,54-29-,55-28-,56-30-,57-31-,58-31-,59-29-,60-30-;

InChIKey

HRODGVPZCOYIMV-VTNCYIAFSA-L

Smiles

[H+].[H+].[H+].[H+].Cc1c2/cc/3\nc4/cc\5/c(c(/c(/[n-]5)c/c6n/c(c\c(c1CCC(=O)[O-])[n-]2)/C(=C6C)CCC(=O)[O-])C)C(SCC(C(=O)NC(C(=O)NC(C(=O)NC(CSC(C3=C4C)C)C(=O)NC(Cc7c[nH]cn7)C(=O)NC(C(C)O)C(=O)NC(C(C)C)C(=O)NC(CCC(=O)[O-])C(=O)[O-])CCC(=O)N)C)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)N)NC(=O)C(C(C)C)N)C.[Fe+2]