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CHEBI:140498 - dihydro-ferroheme d1(4−)

ChEBI IDCHEBI:140498
ChEBI Namedihydro-ferroheme d1(4−)
Stars
ASCII Namedihydro-ferroheme d1(4-)
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC34H28FeN4O10
Net Charge-4
Average Mass708.461
Monoisotopic Mass708.11767
SMILESCC1=C(CCC(=O)[O-])C2=Cc3c(CCC(=O)[O-])c(C)c4[n]3[Fe-2]35[N]6C(=CC1=[N+]23)C(=O)[C@](C)(CC(=O)[O-])C6=CC1=[N+]5C(=C4)[C@@](C)(CC(=O)[O-])C1=O
InChIInChI=1S/C34H34N4O10.Fe/c1-15-17(5-7-27(39)40)21-10-22-18(6-8-28(41)42)16(2)20(36-22)11-25-33(3,13-29(43)44)32(48)24(38-25)12-26-34(4,14-30(45)46)31(47)23(37-26)9-19(15)35-21;/h9-12H,5-8,13-14H2,1-4H3,(H6,35,36,37,38,39,40,41,42,43,44,45,46,47,48);/q;+2/p-6/t33-,34-;/m1./s1
InChIKeyXLQCGNUTSJTZNF-YDXXJHAFSA-H
ChEBI Ontology
Outgoing Relation(s)
dihydro-ferroheme d1(4−) (CHEBI:140498) is a cyclic tetrapyrrole anion (CHEBI:58941)
dihydro-ferroheme d1(4−) (CHEBI:140498) is a tetracarboxylic acid anion (CHEBI:35754)
UniProt Name  Source
dihydro-heme d1UniProt
Manual XrefsDatabases
CPD-17069MetaCyc