New Search   Help   About   Login

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 (requires installed Java plugin)
Predict NMR spectrum (requires HTML5 compatible browser)
13C NMR spectrum Predict NMR spectrum (requires HTML5 compatible browser)
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