magnesium protoporphyrin (CHEBI:15431)

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CHEBI:15431 - magnesium protoporphyrin

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ChEBI Name	magnesium protoporphyrin

ChEBI ID	CHEBI:15431

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

Secondary ChEBI IDs	CHEBI:6638, CHEBI:13378, CHEBI:14552, CHEBI:14553, CHEBI:25109

Supplier Information	No supplier information found for this compound.

Download	Molfile XML SDF

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8.6871 -4.1468 2.0477 C 0 0 0 0 0 0 0 0 0 0 0 0

8.0704 -5.4824 1.9400 C 0 0 0 0 0 0 0 0 0 0 0 0

7.8549 -1.7759 2.4682 C 0 0 0 0 0 0 0 0 0 0 0 0

10.1273 -3.8556 1.8548 C 0 0 0 0 0 0 0 0 0 0 0 0

10.5643 -2.6172 1.5837 C 0 0 0 0 0 0 0 0 0 0 0 0

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8.3057 -7.7644 1.5505 C 0 0 0 0 0 0 0 0 0 0 0 0

9.0890 -8.9773 1.3977 C 0 0 0 0 0 0 0 0 0 0 0 0

8.2246 -9.9510 1.2237 C 0 0 0 0 0 0 0 0 0 0 0 0

6.9094 -9.3360 1.2575 C 0 0 0 0 0 0 0 0 0 0 0 0

10.5960 -9.1040 1.4620 C 0 0 0 0 0 0 0 0 0 0 0 0

8.5374 -11.4190 1.0505 C 0 0 2 0 0 0 0 0 0 0 0 0

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2.1763 -12.2542 2.0674 H 0 0 0 0 0 0 0 0 0 0 0 0

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M END): 19 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

Formulae

C34H32MgN4O4
C34H32MgN4O4

Net Charge

Average Mass

584.94700

Monoisotopic Mass

584.22740

InChI

InChI=1S/C34H34N4O4.Mg/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

REJJDEGSUOCEEW-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[Mg--]3(n14)n1c(=C6)c(C)c(CCC(O)=O)c1=C2

Roles Classification
Biological Role(s):	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	magnesium protoporphyrin (CHEBI:15431) is a magnesium porphyrin (CHEBI:25111) magnesium protoporphyrin (CHEBI:15431) is a metalloprotoporphyrin (CHEBI:36158) magnesium protoporphyrin (CHEBI:15431) is conjugate acid of magnesium protoporphyrin(2−) (CHEBI:60492)

Incoming	magnesium protoporphyrin 13-monomethyl ester (CHEBI:15432) has functional parent magnesium protoporphyrin (CHEBI:15431) magnesium protoporphyrin(2−) (CHEBI:60492) is conjugate base of magnesium protoporphyrin (CHEBI:15431)

IUPAC Name

(protoporphyrinato)magnesium(II)

Synonyms	Sources
(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-dipropanoato)magnesium(II)	JCBN
[Mg(ppIX)]	IUPAC
Magnesium protoporphyrin	KEGG COMPOUND
Magnesium protoporphyrin IX	KEGG COMPOUND
Mg(ppIX)	ChEBI
Mg-protoporphyrin IX	KEGG COMPOUND
PROTOPORPHYRIN IX CONTAINING MG	PDBeChem

Manual Xrefs	Databases
C00007369	KNApSAcK
C03516	KEGG COMPOUND
HEG	PDBeChem
View more database links

Registry Numbers	Types	Sources
14947-11-6	CAS Registry Number	ChemIDplus
6365239	Beilstein Registry Number	Beilstein

Last Modified

28 July 2014

CHEBI:15431 - magnesium protoporphyrin

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