CHEBI:47459 - cis-heme d hydroxychlorin γ-spirolactone

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ChEBI Name cis-heme d hydroxychlorin γ-spirolactone
ChEBI ID CHEBI:47459
ChEBI ASCII Name cis-heme d hydroxychlorin gamma-spirolactone
Definition A metallochlorin that is heme d in which the hydroxy group and the carboxy group of the 6-carboxyethyl substituent have undergone intramolecular condensation to afford the corresponding γ-spirolactone.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C34H34FeN4O5
Net Charge 0
Average Mass 634.504
Monoisotopic Mass 632.17221
InChI InChI=1S/C34H33N4O5.Fe/c1-7-20-17(3)23-13-24-19(5)22(9-10-31(39)40)28(37-24)16-30-34(12-11-32(41)43-34)33(6,42)29(38-30)15-27-21(8-2)18(4)25(36-27)14-26(20)35-23;/h7-8,13-16,42H,1-2,9-12H2,3-6H3,(H2-,35,36,37,38,39,40);/q-1;+2/p-1/t33-,34+;/m0./s1
InChIKey HMYRFFHHXXPRDI-XCVPDAMTSA-M
SMILES C12=N3C(=CC=4N5C(C=C6N7=C(C=C8N(C(=C1)C(=C8CCC(O)=O)C)[Fe]753)[C@]9([C@@]6(C)O)OC(CC9)=O)=C(C4C)C=C)C(=C2C)C=C
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via heme )
prosthetic group
A tightly bound, specific nonpolypeptide unit in a protein determining and involved in its biological activity.
(via heme )
cofactor
An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group).
(via porphyrins )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing cis-heme d hydroxychlorin γ-spirolactone (CHEBI:47459) has functional parent heme d cis-diol (CHEBI:62811)
cis-heme d hydroxychlorin γ-spirolactone (CHEBI:47459) is a γ-lactone (CHEBI:37581)
cis-heme d hydroxychlorin γ-spirolactone (CHEBI:47459) is a azaspiro compound (CHEBI:35624)
cis-heme d hydroxychlorin γ-spirolactone (CHEBI:47459) is a ferroheme (CHEBI:38573)
cis-heme d hydroxychlorin γ-spirolactone (CHEBI:47459) is a metallochlorin (CHEBI:62804)
cis-heme d hydroxychlorin γ-spirolactone (CHEBI:47459) is a monocarboxylic acid (CHEBI:25384)
cis-heme d hydroxychlorin γ-spirolactone (CHEBI:47459) is a oxaspiro compound (CHEBI:37948)
cis-heme d hydroxychlorin γ-spirolactone (CHEBI:47459) is a tertiary alcohol (CHEBI:26878)
cis-heme d hydroxychlorin γ-spirolactone (CHEBI:47459) is conjugate acid of cis-heme d hydroxychlorin γ-spirolactone(1−) (CHEBI:62802)
Incoming cis-heme d hydroxychlorin γ-spirolactone methyl ester (CHEBI:62810) has functional parent cis-heme d hydroxychlorin γ-spirolactone (CHEBI:47459)
cis-heme d hydroxychlorin γ-spirolactone(1−) (CHEBI:62802) is conjugate base of cis-heme d hydroxychlorin γ-spirolactone (CHEBI:47459)
IUPAC Name
{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[16.2.1.13,6.18,11.113,16]tetracosa[1,3(24),6,8,10,12,14,16(22),17,19]decaen]-20'-yl-κ4N21',N22',N23',N24']propanoato(2−)}iron
Synonyms Sources
cis-haem d hydroxychlorin γ-spirolactone ChEBI
CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE PDBeChem
Manual Xref Database
HDD PDBeChem
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Citation Waiting for Citations Type Source
8621527 PubMed citation Europe PMC
Last Modified
14 August 2018