ferroheme b (CHEBI:17627)

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CHEBI:17627 - ferroheme b

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ChEBI Name	ferroheme b

ChEBI ID	CHEBI:17627

ChEBI ASCII Name	ferroheme b

Definition	Heme b in which the iron has oxidation state +2.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:5651, CHEBI:14957

Supplier Information	ChemicalBook:CB4926663, ZINC000003869684

Download	Molfile XML SDF

more structures >>

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The Resolver thinks Mol

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Marvin 08251114153D

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8.2344 -5.6537 1.5666 C 0 0 0 0 0 0 0 0 0 0 0 0

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10.4436 -4.2662 1.2864 C 0 0 0 0 0 0 0 0 0 0 0 0

11.0415 -3.2209 0.6964 C 0 0 0 0 0 0 0 0 0 0 0 0

6.9049 -8.0694 1.7704 N 0 0 0 0 0 0 0 0 0 0 0 0

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8.9433 -9.1713 2.3854 C 0 0 0 0 0 0 0 0 0 0 0 0

8.0129 -10.0984 2.4041 C 0 0 0 0 0 0 0 0 0 0 0 0

6.7775 -9.4404 2.0166 C 0 0 0 0 0 0 0 0 0 0 0 0

10.4057 -9.3478 2.7339 C 0 0 0 0 0 0 0 0 0 0 0 0

8.1899 -11.5511 2.7799 C 0 0 0 0 0 0 0 0 0 0 0 0

8.9504 -12.2873 1.6803 C 0 0 0 0 0 0 0 0 0 0 0 0

9.2181 -13.6974 2.1418 C 0 0 0 0 0 0 0 0 0 0 0 0

10.3566 -14.0752 2.2963 O 0 0 0 0 0 0 0 0 0 0 0 0

8.1811 -14.5467 2.3699 O 0 0 0 0 0 0 0 0 0 0 0 0

5.6338 -6.8019 1.5099 Fe 0 0 0 0 0 0 0 0 0 0 0 0

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M END): 24 ms

reading 75 atoms

ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false

1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them.

Default Van der Waals type for model set to Babel

75 atoms created

ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation

Script completed

Jmol script terminated

Molfile expand

Molfile

Formula

C34H32FeN4O4

Net Charge

Average Mass

616.48700

Monoisotopic Mass

616.17729

InChI

InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;

InChIKey

KABFMIBPWCXCRK-RGGAHWMASA-L

SMILES

CC1=C(CCC(O)=O)C2=[N+]3C1=Cc1c(C)c(C=C)c4C=C5C(C)=C(C=C)C6=[N+]5[Fe--]3(n14)n1c(=C6)c(C)c(CCC(O)=O)c1=C2

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	See: DOI

Roles Classification
Biological Role(s):	human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). 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 ) 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 )

View more via ChEBI Ontology

ChEBI Ontology
Outgoing	ferroheme b (CHEBI:17627) has role cofactor (CHEBI:23357) ferroheme b (CHEBI:17627) has role human metabolite (CHEBI:77746) ferroheme b (CHEBI:17627) is a ferroheme (CHEBI:38573) ferroheme b (CHEBI:17627) is a heme b (CHEBI:26355) ferroheme b (CHEBI:17627) is conjugate acid of ferroheme b(2−) (CHEBI:60344)

Incoming	heme d cis-diol (CHEBI:62811) has functional parent ferroheme b (CHEBI:17627) heme d trans-diol (CHEBI:62812) has functional parent ferroheme b (CHEBI:17627) ferrocytochrome b (CHEBI:5034) has part ferroheme b (CHEBI:17627) ferroheme b(2−) (CHEBI:60344) is conjugate base of ferroheme b (CHEBI:17627)

IUPAC Name

(protoporphyrinato)iron(II)

Synonyms	Sources
[3,7,12,17-tetramethyl-8,13-divinylporphyrin-2,18-dipropanoato(2−)]iron(II)	IUPAC
[Fe(ppIX)]	IUPAC
Fe(ppIX)	ChEBI
ferroprotoheme	ChEBI
ferroprotoporphyrin IX	ChemIDplus
ferrous protoheme	ChemIDplus
ferrous protoheme IX	ChemIDplus
Haem	KEGG COMPOUND
Heme	KEGG COMPOUND
iron(II) protoporphyrin IX	ChemIDplus
protoferroheme	ChEBI
Protoheme	KEGG COMPOUND

Manual Xrefs	Databases
3KS0	PDB
C00032	KEGG COMPOUND
HEM	PDBeChem
YMDB00041	YMDB
View more database links

Registry Numbers	Types	Sources
14875-96-8	CAS Registry Number	KEGG COMPOUND
14875-96-8	CAS Registry Number	ChemIDplus
95291	Gmelin Registry Number	Gmelin
953574	Beilstein Registry Number	Beilstein

Citation	Type	Source
20546754	PubMed citation	Europe PMC

Last Modified

26 July 2019

CHEBI:17627 - ferroheme b

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