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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name dihydro-ferroheme d1(4−)
ChEBI ID CHEBI:140498
ChEBI ASCII Name dihydro-ferroheme d1(4-)
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C34H28FeN4O10
Net Charge -4
Average Mass 708.453
Monoisotopic Mass 708.11767
InChI InChI=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
InChIKey XLQCGNUTSJTZNF-YDXXJHAFSA-H
SMILES C=12[N+]3=C(C=C4N5C(=CC6=[N+]7C(=CC=8N(C(C1)=C(C8CCC([O-])=O)C)[Fe-2]537)C(=C6C)CCC(=O)[O-])C([C@@]4(CC(=O)[O-])C)=O)C([C@@]2(CC([O-])=O)C)=O
ChEBI Ontology
Outgoing 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)
Synonym Source
dihydro-heme d1 UniProt
Manual Xref Database
CPD-17069 MetaCyc accession
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