input word = C00007626

Metabolite InformationStructural formula
Name Siroheme
Formula C42H46FeN4O16
Mw 918.22582325
CAS RN
C_ID C00007626 ,
InChIKey OAOUAUKZLXCVHN-YXJRXBLDNA-M
InChICode InChI=1S/C42H47N4O16.Fe/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29;/h14-16,23-25H,3-13,17-18H2,1-2H3,(H9,43,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62);/q-1;+2/p-1/t23-,24+,25+,41-,42+;/m1./s1
SMILES [C@]1([C@H](C2=[N]3C1=Cc1c(c(c4n1[Fe@]13[N]3=C(C(=C([C@@H]3C4)CCC(=O)O)CC(=O)O)C=C3[C@H]([C@](C(=C2)N13)(CC(=O)O)C)CCC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)(CC(=O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArabidopsis thaliana Ref.
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