Concept information
...
nitrogen molecular entity
organonitrogen compound
organonitrogen heterocyclic compound
azaspiro compound
...
organic cyclic compound
organic heterocyclic compound
organonitrogen heterocyclic compound
azaspiro compound
...
organic cyclic compound
organic heterocyclic compound
organonitrogen heterocyclic compound
azaspiro compound
Preferred term
cis-heme d hydroxychlorin gamma-spirolactone methyl ester
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C35H34FeN4O5
has_functional_parent
- CHEBI:47459
- methanol
inchi
- InChI=1S/C35H34N4O5.Fe/c1-8-21-18(3)24-14-25-20(5)23(10-11-32(40)43-7)29(38-25)17-31-35(13-12-33(41)44-35)34(6,42)30(39-31)16-28-22(9-2)19(4)26(37-28)15-27(21)36-24;/h8-9,14-17,42H,1-2,10-13H2,3-7H3;/q-2;+2/t34-,35+;/m0./s1
inchikey
- HSOAODYTIXUNJD-PFHIRXQESA-N
mass
- 646.51300
monoisotopicmass
- 646.18786
smiles
- COC(=O)CCc1c(C)c2=CC3=[N+]4C(=Cc5c(C)c(C=C)c6C=C7[N+]8=C(C=c1n2[Fe--]48n56)[C@]1(CCC(=O)O1)[C@@]7(C)O)C(C=C)=C3C
subset
- 3_STAR
synonym EXACT
- {methyl 3-[(2RS,5'SR)-9',14'-diethenyl-5'-hydroxy-5',10',15',19'-tetramethyl-5-oxo-4,5-dihydro-3H-spiro[furan-2,4'-[21,22,23,24]tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa[1,3(24),6,8,10,12,14,16(22),17,19]decaen]-20'-yl-kappa(4)N(21'),N(22'),N(23'),N(24')]propanoatato(2-)}iron
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:62810
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