1.0
2011-09-21 00:35:48 UTC
2015-07-21 06:57:54 UTC
FDB023853
S-Aminomethyldihydrolipoamide
S-aminomethyldihydrolipoamide is an intermediate in the glycine, serine, threonine metabolism pathway. The enzyme glycine dehydrogenase (decarboxylating) [EC:1.4.4.2] catalyzes the production and consumption of this metabolite in the mitochondria (reversible reaction). [HMDB]
8-[(aminomethyl)sulfanyl]-6-sulfanyloctanamide
C9H20N2OS2
236.398
236.101704652
8-[(aminomethyl)sulfanyl]-6-sulfanyloctanamide
8-[(aminomethyl)sulfanyl]-6-sulfanyloctanamide
NCSCCC(S)CCCCC(N)=O
InChI=1S/C9H20N2OS2/c10-7-14-6-5-8(13)3-1-2-4-9(11)12/h8,13H,1-7,10H2,(H2,11,12)
KALYVIJGKPJBQV-UHFFFAOYSA-N
belongs to the class of organic compounds known as fatty amides. These are carboxylic acid amide derivatives of fatty acids, that are formed from a fatty acid and an amine.
Fatty amides
Organic compounds
Lipids and lipid-like molecules
Fatty Acyls
Fatty amides
Aliphatic acyclic compounds
Alkylthiols
Carbonyl compounds
Dialkylthioethers
Hydrocarbon derivatives
Monoalkylamines
Organic oxides
Organopnictogen compounds
Primary carboxylic acid amides
Sulfenyl compounds
Thiohemiaminal derivatives
Aliphatic acyclic compound
Alkylthiol
Carbonyl group
Carboxamide group
Carboxylic acid derivative
Dialkylthioether
Fatty amide
Hemithioaminal
Hydrocarbon derivative
Organic nitrogen compound
Organic oxide
Organic oxygen compound
Organonitrogen compound
Organooxygen compound
Organopnictogen compound
Organosulfur compound
Primary aliphatic amine
Primary carboxylic acid amide
Sulfenyl compound
Thioether
S-substituted dihydrolipoamide
Solid
logp
1.57
logs
-3.58
solubility
6.23e-02 g/l
logp
0.52
pka_strongest_acidic
10.07
pka_strongest_basic
8.32
iupac
8-[(aminomethyl)sulfanyl]-6-sulfanyloctanamide
average_mass
236.398
mono_mass
236.101704652
smiles
NCSCCC(S)CCCCC(N)=O
formula
C9H20N2OS2
inchi
InChI=1S/C9H20N2OS2/c10-7-14-6-5-8(13)3-1-2-4-9(11)12/h8,13H,1-7,10H2,(H2,11,12)
inchikey
KALYVIJGKPJBQV-UHFFFAOYSA-N
polar_surface_area
69.11
refractivity
65.5
polarizability
27.34
rotatable_bond_count
9
acceptor_count
2
donor_count
3
physiological_charge
1
formal_charge
0
Specdb::CMs
3204
Specdb::CMs
153841
Specdb::MsMs
179664
Specdb::MsMs
179665
Specdb::MsMs
179666
Specdb::MsMs
181998
Specdb::MsMs
181999
Specdb::MsMs
182000
Specdb::MsMs
2305341
Specdb::MsMs
2305342
Specdb::MsMs
2305343
Specdb::MsMs
2657641
Specdb::MsMs
2657642
Specdb::MsMs
2657643
HMDB06239
Anatidae
Type 1
specific
Anatidae
8830
Beefalo
Type 1
specific
Bos taurus X Bison bison
297284
Bison
Type 1
specific
Bison bison
9901
Buffalo
Type 1
specific
Bubalus bubalis
89462
Cattle (Beef, Veal)
Type 1
specific
Bos taurus
9913
Chicken
Type 1
specific
Gallus gallus
9031
Columbidae (Dove, Pigeon)
Type 1
specific
Columbidae
8930
Deer
Type 1
specific
Cervidae
9850
Domestic goat
Type 1
specific
Capra aegagrus hircus
9925
Domestic pig
Type 1
specific
Sus scrofa domestica
9825
Elk
Type 1
specific
Cervus canadensis
1574408
Emu
Type 1
specific
Dromaius novaehollandiae
8790
European rabbit
Type 1
specific
Oryctolagus
9984
Greylag goose
Type 1
specific
Anser anser
8843
Guinea hen
Type 1
specific
Numida meleagris
8996
Horse
Type 1
specific
Equus caballus
9796
Mallard duck
Type 1
specific
Anas platyrhynchos
8839
Mountain hare
Type 1
specific
Lepus timidus
62621
Mule deer
Type 1
specific
Odocoileus
9871
Ostrich
Type 1
specific
Struthio camelus
8801
Pheasant
Type 1
specific
Phasianus colchicus
9054
Quail
Type 1
specific
Phasianidae
9005
Rabbit
Type 1
specific
Leporidae
9979
Rock ptarmigan
Type 1
specific
Lagopus muta
64668
Sheep (Mutton, Lamb)
Type 1
specific
Ovis aries
9940
Squab
Type 1
specific
Columba
8931
Turkey
Type 1
specific
Meleagris gallopavo
9103
Velvet duck
Type 1
specific
Melanitta fusca
371864
Wild boar
Type 1
specific
Sus scrofa
9823
Glycine dehydrogenase [decarboxylating], mitochondrial
P23378
GLDC