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Showing metabocard for Chlorine atom (HMDB0250101)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 07:04:25 UTC
Update Date2021-10-01 19:48:03 UTC
HMDB IDHMDB0250101
Secondary Accession NumbersNone
Metabolite Identification
Common NameChlorine atom
DescriptionChlorine atom, also known as chlor or 17CL, belongs to the class of inorganic compounds known as homogeneous halogens. These are inorganic non-metallic compounds in which the largest atom is a nobel gas. Based on a literature review a significant number of articles have been published on Chlorine atom. This compound has been identified in human blood as reported by (PMID: 31557052 ). Chlorine atom is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Chlorine atom is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0250101 (Chlorine atom)

  Mrv1652309112109042D          

  1  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
M  RAD  1   1   2
M  END
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3D MOL for HMDB0250101 (Chlorine atom)

HMDB0250101
     RDKit          3D
Chlorine atom
  1  0  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0 15  0  0  0  0  0  0
M  END
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3D SDF for HMDB0250101 (Chlorine atom)

  Mrv1652309112109042D          

  1  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
M  RAD  1   1   2
M  END
> <DATABASE_ID>
HMDB0250101

> <DATABASE_NAME>
hmdb

> <SMILES>
[Cl]

> <INCHI_IDENTIFIER>
InChI=1S/Cl

> <INCHI_KEY>
ZAMOUSCENKQFHK-UHFFFAOYSA-N

> <FORMULA>
Cl

> <MOLECULAR_WEIGHT>
35.45

> <EXACT_MASS>
34.9688527

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
2.3881688999999993

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
chloranyl

> <ALOGPS_LOGP>
-1.31

> <JCHEM_LOGP>
0.8327582013333332

> <ALOGPS_LOGS>
1.08

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
5.6156

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
0.00e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
chloranyl

> <JCHEM_VEBER_RULE>
1

$$$$
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3D-SDF for HMDB0250101 (Chlorine atom)

HMDB0250101
     RDKit          3D
Chlorine atom
  1  0  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0 15  0  0  0  0  0  0
M  END
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PDB for HMDB0250101 (Chlorine atom)

HEADER    PROTEIN                                 11-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-21         0                                  
HETATM    1 Cl   UNK     0       0.000   0.000   0.000  0.00  0.00          Cl+0
MASTER        0    0    0    0    0    0    0    0    1    0    0    0
END
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3D PDB for HMDB0250101 (Chlorine atom)

COMPND    HMDB0250101
HETATM    1 CL1  UNL     1       0.000   0.000   0.000  1.00  0.00          CL  
END
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SMILES for HMDB0250101 (Chlorine atom)

[Cl]
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INCHI for HMDB0250101 (Chlorine atom)

InChI=1S/Cl
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View in JSmolView Stereo Labels
Synonyms
ValueSource
17CLChEBI
ChlorChEBI
ChloreChEBI
ChlorineChEBI
ChlorumChEBI
ClChEBI
CloroChEBI
Chemical FormulaCl
Average Molecular Weight35.45
Monoisotopic Molecular Weight34.9688527
IUPAC Namechloranyl
Traditional Namechloranyl
CAS Registry NumberNot Available
SMILES
[Cl]
InChI Identifier
InChI=1S/Cl
InChI KeyZAMOUSCENKQFHK-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of inorganic compounds known as homogeneous halogens. These are inorganic non-metallic compounds in which the largest atom is a nobel gas.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassHomogeneous halogens
Sub ClassNot Available
Direct ParentHomogeneous halogens
Alternative ParentsNot Available
Substituents
  • Homogeneous halogen
Molecular FrameworkNot Available
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP-1.3ALOGPS
logP0.83ChemAxon
logS1.08ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity5.62 m³·mol⁻¹ChemAxon
Polarizability2.39 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID4514529
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkChlorine
METLIN IDNot Available
PubChem Compound5360523
PDB IDNot Available
ChEBI ID23116
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]

Only showing the first 10 proteins. There are 20 proteins in total.

Show all enzymes and transporters

Enzymes

Enzyme Details
1. Delta(6)-protoilludene synthase
General function:
Not Available
Specific function:
Delta(6)-protoilludene synthase, part of the gene cluster that mediates the biosynthesis of melleolides, a range of antifungal and phytotoxic polyketide derivatives composed of an orsellinic acid (OA) moiety esterified to various sesquiterpene alcohols (By similarity). The first step in melleolides biosynthesis is performed by the delta(6)-protoilludene synthase PRO1 which catalyzes the cyclization of farnesyl diphosphate to protoilludene (By similarity). The orsellinic acid synthase armB produces OA by condensing acetyl-CoA with 3 malonyl-CoA units in a three-round chain elongation reaction folowed by a C2-C7 ring closure (By similarity). ArmB further catalyzes the trans-esterification of OA to the various sesquiterpene alcohols resulting from the hydroxylation of protoilludene (By similarity). The melleolides cluster also includes 5 cytochrome P450 monooxygenases, 4 NAD(+)-dependent oxidoreductases, one flavin-dependent oxidoreductase, and one O-methyltransferase (By similarity). The cytochrome P450 monooxygenases may be involved in protoilludene hydroxylation to elaborate melleolides with multiple alcohol groups, such as melleolide D, which carries alcohol functionalities at C-4, C-5, C-10, and C-13 (By similarity). The role of the NAD(+)-dependent enzymes remains unknown (By similarity). Numerous melleolides, including arnamial, show 5'-O-methylation of the aromatic moiety which may be catalyzed by the methyltransferase encoded in the cluster (By similarity). The flavin-dependent oxidoreductase might represent the dehydrogenase yielding the aldehyde in position 1 of arnamial and other melleolides (By similarity). Finally, several halogenases, localized outside of the cluster, are able to catalyze the transfer of a single chlorine atom to the melleolide backbone, resulting in a 6'-chloromelleolide product (By similarity).
Gene Name:
PRO1
Uniprot ID:
A0A284RNH4
Molecular weight:
39384.115
Enzyme Details
2. Delta(6)-protoilludene synthase
General function:
Not Available
Specific function:
Delta(6)-protoilludene synthase, part of the gene cluster that mediates the biosynthesis of melleolides, a range of antifungal and phytotoxic polyketide derivatives composed of an orsellinic acid (OA) moiety esterified to various sesquiterpene alcohols (PubMed:21148562). The first step in melleolides biosynthesis is performed by the delta(6)-protoilludene synthase PRO1 which catalyzes the cyclization of farnesyl diphosphate to protoilludene (PubMed:21148562). The orsellinic acid synthase armB produces OA by condensing acetyl-CoA with 3 malonyl-CoA units in a three-round chain elongation reaction folowed by a C2-C7 ring closure (By similarity). ArmB further catalyzes the trans-esterification of OA to the various sesquiterpene alcohols resulting from the hydroxylation of protoilludene (By similarity). The melleolides cluster also includes 5 cytochrome P450 monooxygenases, 4 NAD(+)-dependent oxidoreductases, one flavin-dependent oxidoreductase, and one O-methyltransferase (By similarity). The cytochrome P450 monooxygenases may be involved in protoilludene hydroxylation to elaborate melleolides with multiple alcohol groups, such as melleolide D, which carries alcohol functionalities at C-4, C-5, C-10, and C-13 (By similarity). The role of the NAD(+)-dependent enzymes remains unknown (By similarity). Numerous melleolides, including arnamial, show 5'-O-methylation of the aromatic moiety which may be catalyzed by the methyltransferase encoded in the cluster (By similarity). The flavin-dependent oxidoreductase might represent the dehydrogenase yielding the aldehyde in position 1 of arnamial and other melleolides (By similarity). Finally, several halogenases, localized outside of the cluster, are able to catalyze the transfer of a single chlorine atom to the melleolide backbone, resulting in a 6'-chloromelleolide product (By similarity).
Gene Name:
PRO1
Uniprot ID:
P0DL13
Molecular weight:
39792.6
Enzyme Details
3. Short-chain dehydrogenase/reductase ARMGADRAFT_1018421
General function:
Not Available
Specific function:
Short-chain dehydrogenase/reductase, part of the gene cluster that mediates the biosynthesis of melleolides, a range of antifungal and phytotoxic polyketide derivatives composed of an orsellinic acid (OA) moiety esterified to various sesquiterpene alcohols (Probable). The first step in melleolides biosynthesis is performed by the delta(6)-protoilludene synthase PRO1 which catalyzes the cyclization of farnesyl diphosphate to protoilludene (PubMed:21148562). The orsellinic acid synthase armB produces OA by condensing acetyl-CoA with 3 malonyl-CoA units in a three-round chain elongation reaction folowed by a C2-C7 ring closure (By similarity). ArmB further catalyzes the trans-esterification of OA to the various sesquiterpene alcohols resulting from the hydroxylation of protoilludene (By similarity). The melleolides cluster also includes 5 cytochrome P450 monooxygenases, 4 NAD(+)-dependent oxidoreductases, one flavin-dependent oxidoreductase, and one O-methyltransferase (By similarity). The cytochrome P450 monooxygenases may be involved in protoilludene hydroxylation to elaborate melleolides with multiple alcohol groups, such as melleolide D, which carries alcohol functionalities at C-4, C-5, C-10, and C-13 (By similarity). The role of the NAD(+)-dependent enzymes remains unknown (By similarity). Numerous melleolides, including arnamial, show 5'-O-methylation of the aromatic moiety which may be catalyzed by the methyltransferase encoded in the cluster (By similarity). The flavin-dependent oxidoreductase might represent the dehydrogenase yielding the aldehyde in position 1 of arnamial and other melleolides (By similarity). Finally, several halogenase localized outside of the cluster, are able to catalyze the transfer of a single chlorine atom to the melleolide backbone, resulting in a 6'-chloromelleolide product (By similarity).
Gene Name:
Not Available
Uniprot ID:
A0A2H3D8Y2
Molecular weight:
27206.95
Enzyme Details
4. Cytochrome P450 monooxygenase ARMGADRAFT_1018420
General function:
Not Available
Specific function:
Cytochrome P450 monooxygenase, part of the gene cluster that mediates the biosynthesis of melleolides, a range of antifungal and phytotoxic polyketide derivatives composed of an orsellinic acid (OA) moiety esterified to various sesquiterpene alcohols (Probable). The first step in melleolides biosynthesis is performed by the delta(6)-protoilludene synthase PRO1 which catalyzes the cyclization of farnesyl diphosphate to protoilludene (PubMed:21148562). The orsellinic acid synthase armB produces OA by condensing acetyl-CoA with 3 malonyl-CoA units in a three-round chain elongation reaction folowed by a C2-C7 ring closure (By similarity). ArmB further catalyzes the trans-esterification of OA to the various sesquiterpene alcohols resulting from the hydroxylation of protoilludene (By similarity). The melleolides cluster also includes 5 cytochrome P450 monooxygenases, 4 NAD(+)-dependent oxidoreductases, one flavin-dependent oxidoreductase, and one O-methyltransferase (By similarity). The cytochrome P450 monooxygenases may be involved in protoilludene hydroxylation to elaborate melleolides with multiple alcohol groups, such as melleolide D, which carries alcohol functionalities at C-4, C-5, C-10, and C-13 (By similarity). The role of the NAD(+)-dependent enzymes remains unknown (By similarity). Numerous melleolides, including arnamial, show 5'-O-methylation of the aromatic moiety which may be catalyzed by the methyltransferase encoded in the cluster (By similarity). The flavin-dependent oxidoreductase might represent the dehydrogenase yielding the aldehyde in position 1 of arnamial and other melleolides (By similarity). Finally, several halogenase localized outside of the cluster, are able to catalyze the transfer of a single chlorine atom to the melleolide backbone, resulting in a 6'-chloromelleolide product (By similarity).
Gene Name:
Not Available
Uniprot ID:
A0A2H3CZX2
Molecular weight:
58734.64
Enzyme Details
5. Flavin-dependent halogenase armH5
General function:
Not Available
Specific function:
Flavin-dependent halogenase involved in the biosynthesis of melleolides, a range of antifungal and phytotoxic polyketide derivatives composed of an orsellinic acid (OA) moiety esterified to various sesquiterpene alcohols. The halogenase catalyzes the transfer of a single chlorine atom to the melleolide backbone, resulting in a 6'-chloromelleolide product. The enzyme acts on free substrate and does not depend on carrier-protein-dependent acceptor molecules.
Gene Name:
ARMH5
Uniprot ID:
A0A0U3C228
Molecular weight:
57876.77
Enzyme Details
6. Short-chain dehydrogenase/reductase ARMGADRAFT_1018437
General function:
Not Available
Specific function:
Short-chain dehydrogenase/reductase, part of the gene cluster that mediates the biosynthesis of melleolides, a range of antifungal and phytotoxic polyketide derivatives composed of an orsellinic acid (OA) moiety esterified to various sesquiterpene alcohols (Probable). The first step in melleolides biosynthesis is performed by the delta(6)-protoilludene synthase PRO1 which catalyzes the cyclization of farnesyl diphosphate to protoilludene (PubMed:21148562). The orsellinic acid synthase armB produces OA by condensing acetyl-CoA with 3 malonyl-CoA units in a three-round chain elongation reaction folowed by a C2-C7 ring closure (By similarity). ArmB further catalyzes the trans-esterification of OA to the various sesquiterpene alcohols resulting from the hydroxylation of protoilludene (By similarity). The melleolides cluster also includes 5 cytochrome P450 monooxygenases, 4 NAD(+)-dependent oxidoreductases, one flavin-dependent oxidoreductase, and one O-methyltransferase (By similarity). The cytochrome P450 monooxygenases may be involved in protoilludene hydroxylation to elaborate melleolides with multiple alcohol groups, such as melleolide D, which carries alcohol functionalities at C-4, C-5, C-10, and C-13 (By similarity). The role of the NAD(+)-dependent enzymes remains unknown (By similarity). Numerous melleolides, including arnamial, show 5'-O-methylation of the aromatic moiety which may be catalyzed by the methyltransferase encoded in the cluster (By similarity). The flavin-dependent oxidoreductase might represent the dehydrogenase yielding the aldehyde in position 1 of arnamial and other melleolides (By similarity). Finally, several halogenase localized outside of the cluster, are able to catalyze the transfer of a single chlorine atom to the melleolide backbone, resulting in a 6'-chloromelleolide product (By similarity).
Gene Name:
Not Available
Uniprot ID:
A0A2H3D905
Molecular weight:
33948.82
Enzyme Details
7. Cytochrome P450 monooxygenase ARMGADRAFT_1018417
General function:
Not Available
Specific function:
Cytochrome P450 monooxygenase, part of the gene cluster that mediates the biosynthesis of melleolides, a range of antifungal and phytotoxic polyketide derivatives composed of an orsellinic acid (OA) moiety esterified to various sesquiterpene alcohols (Probable). The first step in melleolides biosynthesis is performed by the delta(6)-protoilludene synthase PRO1 which catalyzes the cyclization of farnesyl diphosphate to protoilludene (PubMed:21148562). The orsellinic acid synthase armB produces OA by condensing acetyl-CoA with 3 malonyl-CoA units in a three-round chain elongation reaction folowed by a C2-C7 ring closure (By similarity). ArmB further catalyzes the trans-esterification of OA to the various sesquiterpene alcohols resulting from the hydroxylation of protoilludene (By similarity). The melleolides cluster also includes 5 cytochrome P450 monooxygenases, 4 NAD(+)-dependent oxidoreductases, one flavin-dependent oxidoreductase, and one O-methyltransferase (By similarity). The cytochrome P450 monooxygenases may be involved in protoilludene hydroxylation to elaborate melleolides with multiple alcohol groups, such as melleolide D, which carries alcohol functionalities at C-4, C-5, C-10, and C-13 (By similarity). The role of the NAD(+)-dependent enzymes remains unknown (By similarity). Numerous melleolides, including arnamial, show 5'-O-methylation of the aromatic moiety which may be catalyzed by the methyltransferase encoded in the cluster (By similarity). The flavin-dependent oxidoreductase might represent the dehydrogenase yielding the aldehyde in position 1 of arnamial and other melleolides (By similarity). Finally, several halogenase localized outside of the cluster, are able to catalyze the transfer of a single chlorine atom to the melleolide backbone, resulting in a 6'-chloromelleolide product (By similarity).
Gene Name:
Not Available
Uniprot ID:
A0A2H3CNS9
Molecular weight:
57897.055
Enzyme Details
8. Orsellinic acid synthase ArmB
General function:
Not Available
Specific function:
Non-reducing polyketide synthase, part of the gene cluster that mediates the biosynthesis of melleolides, a range of antifungal and phytotoxic polyketide derivatives composed of an orsellinic acid (OA) moiety esterified to various sesquiterpene alcohols (By similarity). The first step in melleolides biosynthesis is performed by the delta(6)-protoilludene synthase PRO1 which catalyzes the cyclization of farnesyl diphosphate to protoilludene (By similarity). The orsellinic acid synthase armB produces OA by condensing acetyl-CoA with 3 malonyl-CoA units in a three-round chain elongation reaction folowed by a C2-C7 ring closure (By similarity). ArmB further catalyzes the trans-esterification of OA to the various sesquiterpene alcohols resulting from the hydroxylation of protoilludene (By similarity). The melleolides cluster also includes 5 cytochrome P450 monooxygenases, 4 NAD(+)-dependent oxidoreductases, one flavin-dependent oxidoreductase, and one O-methyltransferase (By similarity). The cytochrome P450 monooxygenases may be involved in protoilludene hydroxylation to elaborate melleolides with multiple alcohol groups, such as melleolide D, which carries alcohol functionalities at C-4, C-5, C-10, and C-13 (By similarity). The role of the NAD(+)-dependent enzymes remains unknown (By similarity). Numerous melleolides, including arnamial, show 5'-O-methylation of the aromatic moiety which may be catalyzed by the methyltransferase encoded in the cluster (By similarity). The flavin-dependent oxidoreductase might represent the dehydrogenase yielding the aldehyde in position 1 of arnamial and other melleolides (By similarity). Finally, several halogenase localized outside of the cluster (armH1 to armH5), are able to catalyze the transfer of a single chlorine atom to the melleolide backbone, resulting in a 6'-chloromelleolide product (By similarity).
Gene Name:
ARMB
Uniprot ID:
A0A284RE13
Molecular weight:
237466.145
Enzyme Details
9. Orsellinic acid synthase armB
General function:
Not Available
Specific function:
Non-reducing polyketide synthase, part of the gene cluster that mediates the biosynthesis of melleolides, a range of antifungal and phytotoxic polyketide derivatives composed of an orsellinic acid (OA) moiety esterified to various sesquiterpene alcohols (By similarity). The first step in melleolides biosynthesis is performed by the delta(6)-protoilludene synthase PRO1 which catalyzes the cyclization of farnesyl diphosphate to protoilludene (PubMed:21148562). The orsellinic acid synthase armB produces OA by condensing acetyl-CoA with 3 malonyl-CoA units in a three-round chain elongation reaction folowed by a C2-C7 ring closure (By similarity). ArmB further catalyzes the trans-esterification of OA to the various sesquiterpene alcohols resulting from the hydroxylation of protoilludene (By similarity). The melleolides cluster also includes 5 cytochrome P450 monooxygenases, 4 NAD(+)-dependent oxidoreductases, one flavin-dependent oxidoreductase, and one O-methyltransferase (By similarity). The cytochrome P450 monooxygenases may be involved in protoilludene hydroxylation to elaborate melleolides with multiple alcohol groups, such as melleolide D, which carries alcohol functionalities at C-4, C-5, C-10, and C-13 (By similarity). The role of the NAD(+)-dependent enzymes remains unknown (By similarity). Numerous melleolides, including arnamial, show 5'-O-methylation of the aromatic moiety which may be catalyzed by the methyltransferase encoded in the cluster (By similarity). The flavin-dependent oxidoreductase might represent the dehydrogenase yielding the aldehyde in position 1 of arnamial and other melleolides (By similarity). Finally, several halogenase localized outside of the cluster (armH1 to armH5), are able to catalyze the transfer of a single chlorine atom to the melleolide backbone, resulting in a 6'-chloromelleolide product (By similarity).
Gene Name:
ARMB
Uniprot ID:
A0A2H3CTK0
Molecular weight:
237205.88
Enzyme Details
10. Dehydrogenase ARMGADRAFT_1018426
General function:
Not Available
Specific function:
Dehydrogenase, part of the gene cluster that mediates the biosynthesis of melleolides, a range of antifungal and phytotoxic polyketide derivatives composed of an orsellinic acid (OA) moiety esterified to various sesquiterpene alcohols (Probable). The first step in melleolides biosynthesis is performed by the delta(6)-protoilludene synthase PRO1 which catalyzes the cyclization of farnesyl diphosphate to protoilludene (PubMed:21148562). The orsellinic acid synthase armB produces OA by condensing acetyl-CoA with 3 malonyl-CoA units in a three-round chain elongation reaction folowed by a C2-C7 ring closure (By similarity). ArmB further catalyzes the trans-esterification of OA to the various sesquiterpene alcohols resulting from the hydroxylation of protoilludene (By similarity). The melleolides cluster also includes 5 cytochrome P450 monooxygenases, 4 NAD(+)-dependent oxidoreductases, one flavin-dependent oxidoreductase, and one O-methyltransferase (By similarity). The cytochrome P450 monooxygenases may be involved in protoilludene hydroxylation to elaborate melleolides with multiple alcohol groups, such as melleolide D, which carries alcohol functionalities at C-4, C-5, C-10, and C-13 (By similarity). The role of the NAD(+)-dependent enzymes remains unknown (By similarity). Numerous melleolides, including arnamial, show 5'-O-methylation of the aromatic moiety which may be catalyzed by the methyltransferase encoded in the cluster (By similarity). The flavin-dependent oxidoreductase might represent the dehydrogenase yielding the aldehyde in position 1 of arnamial and other melleolides (By similarity). Finally, several halogenase localized outside of the cluster, are able to catalyze the transfer of a single chlorine atom to the melleolide backbone, resulting in a 6'-chloromelleolide product (By similarity).
Gene Name:
Not Available
Uniprot ID:
A0A2H3D1U1
Molecular weight:
67628.575

Only showing the first 10 proteins. There are 20 proteins in total.

Show all enzymes and transporters