cis-heme d hydroxychlorin gamma-spirolactone (CHEBI:47459)

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

ChEBI ID	CHEBI:47459
ChEBI Name	cis-heme d hydroxychlorin γ-spirolactone
Stars
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.
Last Modified	14 August 2018
Downloads	Molfile

Formula	C34H32FeN4O5
Net Charge	0
Average Mass	632.498
Monoisotopic Mass	632.17221
SMILES	C=CC1=C(C)C2=[N]3C1=Cc1c(C)c(C=C)c4[n]1[Fe]31[N]3=C(C=c5c(CCC(=O)O)c(C)c([n]51)=C2)[C@]1(CCC(=O)O1)[C@@](C)(O)C3=C4
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

Roles Classification

Chemical Role:

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

Biological Roles:

prosthetic group A tightly bound, specific nonpolypeptide unit in a protein determining and involved in its biological activity.

metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

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).

ChEBI Ontology

Outgoing Relation(s)
	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 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 a γ-lactone (CHEBI:37581)
	cis-heme d hydroxychlorin γ-spirolactone (CHEBI:47459) is conjugate acid of cis-heme d hydroxychlorin γ-spirolactone(1−) (CHEBI:62802)
Incoming Relation(s)
	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[16.2.1.1^3,6.1^8,11.1^13,16]tetracosa[1,3(24),6,8,10,12,14,16(22),17,19]decaen]-20'-yl-κ⁴N^21',N^22',N^23',N^24']propanoato(2−)}iron

Synonyms	Source
CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE	PDBeChem
cis-haem d hydroxychlorin γ-spirolactone	ChEBI

Manual Xrefs	Databases
HDD	PDBeChem

Citations