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Molecule Detail Page

Molecule name

Ferrocytochrome_C

Additional molecule names

English en
Ferrocytochrome_c-553
reduced_Cytochrome_c
Cytochrome_c_(reduced)
Iron(II)-cytochrome_C
Chinese zh
亚铁细胞色素_C

Molecular Structure

Properties calculated from structure

PropertyValue ?
FormulaC42H52FeN8O6S2
Weight884.890 [g/mol]
Complexity2102.52
XLogP0.77
TPSA217.73
#HDonors8
#HAcceptors14
Gibbs Energy None [kcal/mol]
1H NMR spectrum Predict NMR spectrum
Isotopic distribution Predict Isotopic distribution

Structure representations/Cross-references

PropertyValue ?
SMILEScalc. failed
InChIInChI=1S/C42H54N8O6S2.Fe/c1-19-25(9-11-37(51)52)33-16-34-26(10-12-38(53)54)20(2)30(48-34)14-35-40(24(6)58-18-28(44)42(56)46-8)22(4)32(50-35)15-36-39(21(3)31(49-36)13-29(19)47-33)23(5)57-17-27(43)41(55)45-7;/h13-16,23-24,27-28H,9-12,17-18,43-44H2,1-8H3,(H6,45,46,47,48,49,50,51,52,53,54,55,56);/q;+2/p-2/b29-13-,30-14-,31-13-,32-15-,33-16-,34-16-,35-14-,36-15-;
InChI-Key InChIKey=WFVBWSTZNVJEAY-VQGVYVAWSA-L
KEGG ID C00126
ChEBI ID None
PubChem-CID 439171

Taxonomy

toggle 3 taxonomy entries

Stereoisomers

toggle 1 molecule

Most similar molecules

toggle 3 molecules (tanimoto >90%)

Reactions the molecule is involved in

toggle 9 reactions

Pathways the molecule is involved in

toggle 7 pathways