8-Amino-7-oxononanoic acid (YMDB00905)

Identification

YMDB ID

YMDB00905

Name

8-Amino-7-oxononanoic acid

Species

Saccharomyces cerevisiae

Strain

Baker's yeast

Description

Polyethylene glycol, also known as glycol or 1,2-ethanediol, belongs to the class of organic compounds known as 1,2-diols. These are polyols containing an alcohol group at two adjacent positions. Based on a literature review a significant number of articles have been published on Polyethylene glycol.

Structure

MOL SDF PDB SMILES InChI

Synonyms

8-Amino-7-oxononanoate
8-Amino-7-oxononanoic acid
1,2-Dihydroxyethane
1,2-Ethanediol
2-Hydroxyethanol
Ethanediol
Glycol
HO-CH2-CH2-OH
Monoethylene glycol
1,2 Ethanediol
Glycol, monoethylene
2 Hydroxyethanol
Glycol, ethylene
Poly(ethylene glycol)
Polyethylene oxide
Poly(ethylene oxide)
Polyoxyethylene
Poly(oxyethylene)
PEG
PEO
POE
Alkox
Carbowax
Carbowax sentry
Macrogol
MiraLax
Α,ω-hydroxypoly(ethylene oxide)
Α-hydro-ω-hydroxypoly(oxy-1,2-ethanediyl)
Α-hydro-ω-hydroxypoly(oxyethylene)
alpha,Omega-hydroxypoly(ethylene oxide)
alpha-Hydro-omega-hydroxypoly(oxy-1,2-ethanediyl)
alpha-Hydro-omega-hydroxypoly(oxyethylene)
Ethylene glycol homopolymer
Ethylene glycol polymer
Ethylene oxide polymer
Ethylene polyoxide
Ethylene glycol
Polyethylene glycol

CAS number

4707-58-8

Weight

Average: 187.2362
Monoisotopic: 187.120843415

InChI Key

GUAHPAJOXVYFON-UHFFFAOYSA-N

InChI

InChI=1S/C9H17NO3/c1-7(10)8(11)5-3-2-4-6-9(12)13/h7H,2-6,10H2,1H3,(H,12,13)

IUPAC Name

Not Available

Traditional IUPAC Name

Not Available

Chemical Formula

C₉H₁₇NO₃

SMILES

[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)C([H])(N([H])[H])C([H])([H])[H]

Chemical Taxonomy

Description

belongs to the class of organic compounds known as 1,2-diols. These are polyols containing an alcohol group at two adjacent positions.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Alcohols and polyols

Direct Parent

1,2-diols

Alternative Parents

Substituents

1,2-diol
Hydrocarbon derivative
Primary alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

glycol (CHEBI:30742 )
ethanediol (CHEBI:30742 )
a glycol (GLYCOL )

Physical Properties

State

Not Available

Charge

Melting point

Not Available

Experimental Properties

Property	Value	Reference
Water Solubility	Not Available	PhysProp
LogP	Not Available	PhysProp

Predicted Properties

Property	Value	Source
Water Solubility	950 g/L	ALOGPS
logP	-1.5	ALOGPS
logS	1.18	ALOGPS
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon

Biological Properties

Cellular Locations

Cell Envelope
Cytoplasm
Endoplasmic Reticulum
Extracellular
Lipid Particle
Mitochondrion

Organoleptic Properties

Not Available

SMPDB Pathways

Biotin Biosynthesis

PW002380

KEGG Pathways

Biotin metabolism

ec00780

SMPDB Reactions

8-Amino-7-oxononanoic acid + S-Adenosyl-L-methionine ↔ Diaminopimelic acid + S-adenosyl-4-methylthio-2-oxobutanoate

KEGG Reactions

pimeloyl-CoA + L-Alanine ↔ hydron + 8-Amino-7-oxononanoic acid + Carbon dioxide + Coenzyme A

8-Amino-7-oxononanoic acid + S-Adenosylmethionine ↔ S-adenosyl-4-methylthio-2-oxobutanoic acid + 7,8-diaminononanoic acid

Concentrations

Intracellular Concentrations

Not Available

Extracellular Concentrations

Not Available

Spectra

Spectrum Type	Description	Splash Key	View
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-001i-9000000000-3f04f129d6a8c819d7bc	JSpectraViewer \| MoNA
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-001i-9000000000-eaa1e5b7b88211fa7edb	JSpectraViewer \| MoNA
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-001i-9000000000-dcef056f352184a24448	JSpectraViewer \| MoNA
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-001i-9000000000-3f04f129d6a8c819d7bc	JSpectraViewer \| MoNA
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-001i-9000000000-eaa1e5b7b88211fa7edb	JSpectraViewer \| MoNA
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-001i-9000000000-dcef056f352184a24448	JSpectraViewer \| MoNA
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-03e9-9000000000-7d7e99366b74aa908fb5	JSpectraViewer
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positive	splash10-00di-9300000000-1cb14d2c8cf1747328eb	JSpectraViewer
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	JSpectraViewer
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	JSpectraViewer
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-03di-9000000000-1d69e3daf74c74648262	JSpectraViewer
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-03di-9000000000-7060d349c304512b9f75	JSpectraViewer
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0002-9000000000-3bc95e388ddb6eadd69d	JSpectraViewer
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-03di-9000000000-c649f289b243e440bfa9	JSpectraViewer
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-03di-9000000000-7d8813644ca43096609f	JSpectraViewer
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-01ox-9000000000-17eed3caf789fe508145	JSpectraViewer
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-03di-9000000000-bc322895724fc86f7dc0	JSpectraViewer
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-03di-9000000000-8057e63671cfd392ae43	JSpectraViewer
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0006-9000000000-f589ce99213e8dfb1d61	JSpectraViewer
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0002-9000000000-8eeb88a032ec50107369	JSpectraViewer
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0002-9000000000-00ba25458eb6c0cc2940	JSpectraViewer
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0002-9000000000-00ba25458eb6c0cc2940	JSpectraViewer
MS	Mass Spectrum (Electron Ionization)	splash10-001i-9000000000-2fa6f85cb914a856ccc3	JSpectraViewer \| MoNA
1D NMR	1H NMR Spectrum	Not Available	JSpectraViewer
1D NMR	13C NMR Spectrum	Not Available	JSpectraViewer
1D NMR	13C NMR Spectrum	Not Available	JSpectraViewer
1D NMR	1H NMR Spectrum	Not Available	JSpectraViewer
1D NMR	13C NMR Spectrum	Not Available	JSpectraViewer
1D NMR	1H NMR Spectrum	Not Available	JSpectraViewer
1D NMR	13C NMR Spectrum	Not Available	JSpectraViewer
1D NMR	1H NMR Spectrum	Not Available	JSpectraViewer
1D NMR	13C NMR Spectrum	Not Available	JSpectraViewer
1D NMR	1H NMR Spectrum	Not Available	JSpectraViewer
1D NMR	13C NMR Spectrum	Not Available	JSpectraViewer
1D NMR	1H NMR Spectrum	Not Available	JSpectraViewer
1D NMR	13C NMR Spectrum	Not Available	JSpectraViewer
1D NMR	1H NMR Spectrum	Not Available	JSpectraViewer
1D NMR	13C NMR Spectrum	Not Available	JSpectraViewer
1D NMR	1H NMR Spectrum	Not Available	JSpectraViewer
1D NMR	13C NMR Spectrum	Not Available	JSpectraViewer
1D NMR	1H NMR Spectrum	Not Available	JSpectraViewer
1D NMR	13C NMR Spectrum	Not Available	JSpectraViewer
1D NMR	1H NMR Spectrum	Not Available	JSpectraViewer
1D NMR	13C NMR Spectrum	Not Available	JSpectraViewer
1D NMR	1H NMR Spectrum	Not Available	JSpectraViewer

References

References:

UniProt Consortium (2011). "Ongoing and future developments at the Universal Protein Resource." Nucleic Acids Res 39:D214-D219.21051339
Herrgard, M. J., Swainston, N., Dobson, P., Dunn, W. B., Arga, K. Y., Arvas, M., Bluthgen, N., Borger, S., Costenoble, R., Heinemann, M., Hucka, M., Le Novere, N., Li, P., Liebermeister, W., Mo, M. L., Oliveira, A. P., Petranovic, D., Pettifer, S., Simeonidis, E., Smallbone, K., Spasic, I., Weichart, D., Brent, R., Broomhead, D. S., Westerhoff, H. V., Kirdar, B., Penttila, M., Klipp, E., Palsson, B. O., Sauer, U., Oliver, S. G., Mendes, P., Nielsen, J., Kell, D. B. (2008). "A consensus yeast metabolic network reconstruction obtained from a community approach to systems biology." Nat Biotechnol 26:1155-1160.18846089
Phalip, V., Kuhn, I., Lemoine, Y., Jeltsch, J. M. (1999). "Characterization of the biotin biosynthesis pathway in Saccharomyces cerevisiae and evidence for a cluster containing BIO5, a novel gene involved in vitamer uptake." Gene 232:43-51.10333520

Synthesis Reference:

Not Available

External Links:

Resource	Link
CHEBI ID	15830
HMDB ID	HMDB0037790
Pubchem Compound ID	173
Kegg ID	C01092
ChemSpider ID	168
FOODB ID	FDB009379
Wikipedia ID	Ethylene_Glycol
BioCyc ID	Not Available

Enzymes

Protein Details

1. Adenosylmethionine-8-amino-7-oxononanoate aminotransferase

General function:: Involved in transaminase activity
Specific function:: Catalyzes the transfer of the alpha-amino group from S- adenosyl-L-methionine (SAM) to 7-keto-8-aminopelargonic acid (KAPA) to form 7,8-diaminopelargonic acid (DAPA). It is the only animotransferase known to utilize SAM as an amino donor
Gene Name:: BIO3
Uniprot ID:: P50277
Molecular weight:: 53708.39844

Reactions

S-adenosyl-L-methionine + 8-amino-7-oxononanoate → S-adenosyl-4-methylthio-2-oxobutanoate + 7,8-diaminononanoate.

Transporters

Protein Details

1. 7-keto 8-aminopelargonic acid transporter

General function:: Involved in amino acid transmembrane transporter activity
Specific function:: Transport into the cell of 7-keto 8-aminopelargonic acid
Gene Name:: BIO5
Uniprot ID:: P53744
Molecular weight:: 62427.5

Structure for #<Compound:0xa73270c4>

Enzymes

Reactions

Transporters