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siroheme amide

MNXM21765 is deprecated and here replaced by MNXM1102187
!!! Alternative mappings exist !!!
PropertiesImageOccurences in reactions
MNX_IDMNXM1102187Image of MNXM1102187
#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
formulaC42H38FeN5O15
charge-7
mass908.17522
referencemetacycM:CPD-7903
InChIKeyIPAZYUXMTKSSNX-QIISWYHFSA-E
InChIInChI=1S/C42H47N5O15.Fe/c1-41(17-33(43)48)24(6-10-37(55)56)30-16-32-42(2,18-40(61)62)23(5-9-36(53)54)29(46-32)14-27-21(11-38(57)58)19(3-7-34(49)50)25(44-27)13-26-20(4-8-35(51)52)22(12-39(59)60)28(45-26)15-31(41)47-30;/h13-16,23-24H,3-12,17-18H2,1-2H3,(H11,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62);/q;+2/p-9/t23-,24-,41+,42+;/m1./s1
SMILESC[C@@]1(CC(N)=O)C2=CC3=[N+]4C(=Cc5c(CCC(=O)[O-])c(CC(=O)[O-])c6n5[Fe-2]45N2C(=CC2=[N+]5C(=C6)[C@@H](CCC(=O)[O-])[C@]2(C)CC(=O)[O-])[C@H]1CCC(=O)[O-])C(CCC(=O)[O-])=C3CC(=O)[O-]
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
metacyc.compound:CPD-7903
metacycM:CPD-7903
seed.compound:cpd24958
seedM:cpd24958 		siroheme amide
seedM:M_cpd24958 secondary/obsolete/fantasy identifier