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Substance Name: Heme d
RN: 60318-31-2
InChIKey: HMYRFFHHXXPRDI-YDXXJHAFSA-M

Molecular Formula

  • C34-H31-Fe-N4-O5.H

Molecular Weight

  • 632.4948
 
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Names and Synonyms

Name of Substance

  • Heme d

Synonym

  • EINECS 262-172-5

Systematic Name

  • Hydrogen (2S-trans)-(2,3-dihydro-2,3-dihydroxy-3,8,13,17-tetramethyl-7,12-divinyl-21H,23H-porphine-2,18-dipropionic acid gamma-lactonato(3-)-N21,N22,N23,N24)ferrate(1-)

Registry Numbers

CAS Registry Number

  • 60318-31-2

System Generated Number

  • 0060318312

Molecular Formulas

Molecular Formula

  • C34-H31-Fe-N4-O5.H

Molecular Formula Fragments

  • C34-H31-Fe-N4-O5
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/C34H33N4O5.Fe/c1-7-20-17(3)23-13-24-19(5)22(9-10-31(39)40)28(37-24)16-30-34(12-11-32(41)43-34)33(6,42)29(38-30)15-27-21(8-2)18(4)25(36-27)14-26(20)35-23;/h7-8,13-16,42H,1-2,9-12H2,3-6H3,(H2-,35,36,37,38,39,40);/q-1;+2/p-1/t33-,34-;/m1./s1

InChIKey

HMYRFFHHXXPRDI-YDXXJHAFSA-M

Smiles

CC1=C(CCC(=O)[O-])C2=N/C/1=C\c3c(C)c(C=C)c4\C=C\5/N=C(\C=C\6/N([Fe]n34)\C(=C/2)\[C@]7(CCC(=O)O7)[C@]6(C)O)C(=C5C)C=C