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CHEBI:60549 - ferroheme d1(4−)

ChEBI IDCHEBI:60549
ChEBI Nameferroheme d1(4−)
Stars
ASCII Nameferroheme d1(4-)
DefinitionA cyclic tetrapyrrole anion arising from deprotonation of the four carboxy groups of ferroheme d1; major species at pH 7.3.
Last Modified25 August 2011
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC34H26FeN4O10
Net Charge-4
Average Mass706.445
Monoisotopic Mass706.10202
SMILESCc1c(CCC(=O)[O-])c2[n]3c1C=C1C(=O)[C@](C)(CC(=O)[O-])C4=[N+]1[Fe-2]31[n]3c(c(C)c(/C=C/C(=O)[O-])c3=C2)=CC2=[N+]1C(=C4)C(=O)[C@]2(C)CC(=O)[O-]
InChIInChI=1S/C34H32N4O10.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;/h6,8-12H,5,7,13-14H2,1-4H3,(H6,35,36,37,38,39,40,41,42,43,44,45,46,47,48);/q;+2/p-6/b8-6+;/t33-,34-;/m1./s1
InChIKeyYTCKFKAUGWIMPJ-FSQDTXDGSA-H
ChEBI Ontology
Outgoing Relation(s)
ferroheme d1(4−) (CHEBI:60549) is a cyclic tetrapyrrole anion (CHEBI:58941)
ferroheme d1(4−) (CHEBI:60549) is a tetracarboxylic acid anion (CHEBI:35754)
ferroheme d1(4−) (CHEBI:60549) is conjugate base of ferroheme d1 (CHEBI:61147)
Incoming Relation(s)
ferroheme d1 (CHEBI:61147) is conjugate acid of ferroheme d1(4−) (CHEBI:60549)
IUPAC Names 
{3-[18-(2-carboxylatoethyl)-7,12-bis(carboxylatomethyl)-3,7,12,17-tetramethyl-8,13-dioxo-7,8,12,13-tetrahydroporphyrin-2-yl--κ4N21,N22,N23,N24]acrylato(6−)}iron
[(2E)-3-[(7R,12R)-18-(2-carboxylatoethyl)-7,12-bis(carboxylatomethyl)-3,7,12,17-tetramethyl-8,13-dioxo-7,8,12,13-tetrahydroporphyrin-2-yl-κ4N21,N22,N23,N24]prop-2-enoato(6−)]iron
Synonyms  Source
ferroheme d1 tetracarboxylateChEBI
ferroheme d1 tetraanionChEBI
haem d1(4−)ChEBI
UniProt Name  Source
heme d1UniProt
Citations