2,4-divinyl protochlorophyllide a (PAMDB120440)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB120440
Identification
Name: 2,4-divinyl protochlorophyllide a
Description:Dianion of 2,4-divinyl protochlorophyllide a.
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:
  • divinylprotochlorophyllide
Chemical Formula: C35H28N4O5MG
Average Molecular Weight: 608.935
Monoisotopic Molecular Weight: 610.20667
InChI Key: JUNIUPXPPBQKSQ-UAVVDGTISA-K
InChI:InChI=1S/C35H31N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22;/h8-9,12-14H,1-2,10-11H2,3-7H3,(H3,36,37,38,39,40,41,42);/q-1;+2/p-3/b22-12-,23-13-,24-12-,25-14-,26-13-,27-14-,32-30-;
CAS number: Not Available
IUPAC Name:Not Available
Traditional IUPAC Name: Not Available
SMILES:C=CC7(C(C)=C3(N1(C(C=C6(C(C)=C(C=C)C(C=C2(N([Mg]1)C5(C(=C(C)2)C(=O)[C-](C(OC)=O)C(C4(=NC(=C3)C(=C4CCC(=O)[O-])C))=5)))=N6))=7)))
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as metallotetrapyrroles. These are polycyclic compounds containing a tetrapyrrole skeleton combined with a metal atom.
Kingdom Organic compounds
Super ClassOrganoheterocyclic compounds
Class Tetrapyrroles and derivatives
Sub ClassMetallotetrapyrroles
Direct Parent Metallotetrapyrroles
Alternative Parents
Substituents
  • Metallotetrapyrrole skeleton
  • Aryl ketone
  • Dicarboxylic acid or derivatives
  • Substituted pyrrole
  • Pyrrole
  • Methyl ester
  • Heteroaromatic compound
  • Vinylogous amide
  • Carboxylic acid ester
  • Ketimine
  • Ketone
  • Organic metal salt
  • Azacycle
  • Carboxylic acid
  • Carboxylic acid derivative
  • Metalloheterocycle
  • Organonitrogen compound
  • Organic oxygen compound
  • Organic salt
  • Carbonyl group
  • Imine
  • Organic nitrogen compound
  • Organooxygen compound
  • Organopnictogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organic anion
  • Aromatic heteropolycyclic compound
Molecular Framework Aromatic heteropolycyclic compounds
External Descriptors Not Available
Physical Properties
State: Not Available
Charge:-2
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Molecular Weight609.945 g/molPubChem
Hydrogen Bond Donor Count0 PubChem
Hydrogen Bond Acceptor Count9 PubChem
Rotatable Bond Count6 PubChem
Exact Mass609.199 g/molPubChem
Monoisotopic Mass609.199 g/molPubChem
Topological Polar Surface Area110 A^2PubChem
Heavy Atom Count45 PubChem
Formal Charge-1 PubChem
Complexity1760 PubChem
Isotope Atom Count0 PubChem
Defined Atom Stereocenter Count1 PubChem
Undefined Atom Stereocenter Count0 PubChem
Defined Bond Stereocenter Count0 PubChem
Undefined Bond Stereocenter Count0 PubChem
Covalently-Bonded Unit Count2 PubChem
Biological Properties
Cellular Locations: Not Available
Reactions:
protochlorophyllide a + NADP+ → 2,4-divinyl protochlorophyllide a + NADPH + Hydrogen ion
131-oxo-magnesium-protoporphyrin IX 13-monomethyl ester + Oxygen + NADPH → 2,4-divinyl protochlorophyllide a + NADP+ + Water
131-oxo-magnesium-protoporphyrin IX 13-monomethyl ester + NADP+ → 2,4-divinyl protochlorophyllide a + NADPH + Hydrogen ion
Pathways:
  • chlorophyllide a biosynthesis III (aerobic, light independent)PWY-7159
  • chlorophyllide a biosynthesis I (aerobic, light-dependent)CHLOROPHYLL-SYN
  • chlorophyllide a biosynthesis II (anaerobic)PWY-5531
    Spectra
    Spectra: Not Available
    References
    References:
    Synthesis Reference: Not Available
    Material Safety Data Sheet (MSDS) Not Available
    External Links:
    ResourceLink
    CHEBI58632
    PUBCHEM44229214
    LIGAND-CPDC11831