coproporphyrinogen III (CHEBI:15439)

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CHEBI:15439 - coproporphyrinogen III

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ChEBI Name	coproporphyrinogen III

ChEBI ID	CHEBI:15439

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

Secondary ChEBI IDs	CHEBI:14020, CHEBI:41560, CHEBI:3880, CHEBI:23386

Supplier Information	ZINC000004096059

Download	Molfile XML SDF

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Molfile

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1 3 1 0 0 0 0

1 4 4 0 0 0 0

2 5 4 0 0 0 0

3 7 1 0 0 0 0

4 8 4 0 0 0 0

6 9 1 0 0 0 0

7 10 4 0 0 0 0

7 11 4 0 0 0 0

8 12 1 0 0 0 0

9 13 1 0 0 0 0

10 14 4 0 0 0 0

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11 16 4 0 0 0 0

12 17 1 0 0 0 0

13 18 2 0 0 0 0

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16 21 1 0 0 0 0

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33 40 1 0 0 0 0

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34 74 1 0 0 0 0

34 75 1 0 0 0 0

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38 79 1 0 0 0 0

41 80 1 0 0 0 0

41 81 1 0 0 0 0

43 82 1 0 0 0 0

44 83 1 0 0 0 0

44 84 1 0 0 0 0

46 85 1 0 0 0 0

48 86 1 0 0 0 0

48 87 1 0 0 0 0

48 88 1 0 0 0 0

4 89 1 0 0 0 0

11 90 1 0 0 0 0

23 91 1 0 0 0 0

31 92 1 0 0 0 0

M END): 20 ms

reading 92 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

92 atoms created

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

Script completed

Jmol script terminated

Molfile expand

Formula

C36H44N4O8

Net Charge

Average Mass

660.75672

Monoisotopic Mass

660.31591

InChI

InChI=1S/C36H44N4O8/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29/h37-40H,5-16H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)

InChIKey

NIUVHXTXUXOFEB-UHFFFAOYSA-N

SMILES

Cc1c2Cc3[nH]c(Cc4[nH]c(Cc5[nH]c(Cc([nH]2)c1CCC(O)=O)c(C)c5CCC(O)=O)c(C)c4CCC(O)=O)c(CCC(O)=O)c3C

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Source: BioModels - MODEL1507180067 See: PubMed
Escherichia coli (NCBI:txid562)	See: PubMed

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):	Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). 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	coproporphyrinogen III (CHEBI:15439) has role Escherichia coli metabolite (CHEBI:76971) coproporphyrinogen III (CHEBI:15439) has role mouse metabolite (CHEBI:75771) coproporphyrinogen III (CHEBI:15439) is a coproporphyrinogen (CHEBI:15438) coproporphyrinogen III (CHEBI:15439) is conjugate acid of coproporphyrinogen III(4−) (CHEBI:57309)

Incoming	coproporphyrinogen III(4−) (CHEBI:57309) is conjugate base of coproporphyrinogen III (CHEBI:15439)

IUPAC Name

3,8,13,17-tetramethyl-5,10,15,20,22,24-hexahydroporphyrin-2,7,12,18-tetrapropanoic acid

Synonyms	Sources
3,8,13,17-tetramethyl-5,10,15,20,22,24-hexahydroporphyrin-2,7,12,18-tetrapropionic acid	JCBN
5,10,15,20,22,24-hexahydro-3,8,13,17-tetramethyl-21H,23H-porphine-2,7,12,18-tetrapropanoic acid	ChemIDplus
COPROPORPHYRIN III	PDBeChem
Coproporphyrinogen III	KEGG COMPOUND

Manual Xrefs	Databases
C00007284	KNApSAcK
C03263	KEGG COMPOUND
CP3	PDBeChem
View more database links

Registry Numbers	Types	Sources
1208502	Beilstein Registry Number	Beilstein
2624-63-7	CAS Registry Number	ChemIDplus

Last Modified

27 January 2016

CHEBI:15439 - coproporphyrinogen III

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