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Fe(II)-heme o

PropertiesImageOccurences in reactions
MNX_IDMNXM1107744Image of MNXM1107744
#reac
in my sandbox 0
in MNXref (generic)29
in models (compartimentalized) 23
formulaC49H56FeN4O5
charge-2
mass836.36111
referencechebi:60530
InChIKeyFISPASSVCDRERW-ARQJTVBPSA-J
InChIInChI=1S/C49H60N4O5.Fe/c1-10-35-31(6)40-26-45-49(46(54)19-13-18-30(5)17-12-16-29(4)15-11-14-28(2)3)34(9)41(53-45)24-38-32(7)36(20-22-47(55)56)43(51-38)27-44-37(21-23-48(57)58)33(8)39(52-44)25-42(35)50-40;/h10,14,16,18,24-27,46,54H,1,11-13,15,17,19-23H2,2-9H3,(H4,50,51,52,53,55,56,57,58);/q;+2/p-4/b29-16+,30-18+,38-24-,39-25-,40-26-,41-24-,42-25-,43-27-,44-27-,45-26-;/t46-;/m0./s1
SMILESC=CC1=C(C)C2=[N+]3C1=Cc1c(C)c(CCC(=O)[O-])c4n1[Fe-2]31n3c(c(C)c([C@@H](O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c3=C2)=CC2=[N+]1C(=C4)C(CCC(=O)[O-])=C2C
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Similar chemical compounds in external resources
IdentifierDescription
CHEBI:60530
chebi:60530
Fe(II)-heme o
[3,3'-{7-ethenyl-12-[(1S,4E,8E)-1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trien-1-yl]-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa(4)N(21),N(22),N(23),N(24)}dipropanoato(4-)]iron
ferroheme o(2-)
bigg.metabolite:hemeO
biggM:hemeO
kegg.compound:C15672
keggC:C15672
Heme O
hmdb:HMDB0001162 Heme O
3-[(11Z,16Z)-20-(2-carboxyethyl)-15-ethenyl-10-[(4E,8E)-1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trien-1-yl]-5,9,14,19-tetramethyl-21,23,24,25-tetraaza-22-ferrahexacyclo[9.9.3.1³,⁶.1¹³,¹⁶.0⁸,²³.0¹⁸,²¹]pentacosa-1(20),2,4,6(25),7,9,11,13(24),14,16,18-undecaen-4-yl]propanoic acid
metacyc.compound:CPD-17063
metacycM:CPD-17063
ferroheme o
hmdb:HMDB01162
chebi:61719
biggM:M_hemeO
keggC:M_C15672
secondary/obsolete/fantasy identifier