LIPID MAPS

Structure Database (LMSD)

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Common Name

7-Keto-8-aminopelargonic acid

Systematic Name

8S-amino-7-oxo-nonanoic acid

Synonyms

7-KAP

LM ID

LMFA01100065

Formula

C₉H₁₇NO₃

Exact Mass

Calculate m/z

187.120844

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

View NP-MRD ID(NMR) spectrum

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Escherichia coli (#562)

Gammaproteobacteria (#1236)

The isolation and identification of 7-oxo-8-aminopelargonic acid, a biotin intermediate.,
Biochemistry, 1970

Pubmed ID: 5411202

DOI: 10.1021/bi00803a014

String Representations

InChiKey (Click to copy)

GUAHPAJOXVYFON-ZETCQYMHSA-N

InChi (Click to copy)

InChI=1S/C9H17NO3/c1-7(10)8(11)5-3-2-4-6-9(12)13/h7H,2-6,10H2,1H3,(H,12,13)/t7-/m0/s1

SMILES (Click to copy)

C(CCCCCC(=O)[C@@H](N)C)(=O)O

Other Databases

KEGG ID

C01092

CHEBI ID

149468

PubChem CID

448124

PDB ID

KAP

Calculated Physicochemical Properties

Heavy Atoms 13

Rings 0

Aromatic Rings 0

Rotatable Bonds 7

Van der Waals Molecular Volume 196.35

Topological Polar Surface Area 80.39

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 4

logP 1.22

Molar Refractivity 49.89

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Created at

20th Jan 2021

Updated at