1.0
2011-09-21 01:39:31 UTC
2015-07-21 06:59:25 UTC
FDB028420
Ciliatine
Ciliatine is an organophosphorus compound isolated from human and animal tissues. [HMDB]
(2-Aminoethane)onate
(2-Aminoethane)onic acid
(2-Aminoethane)phosphonic acid
(2-Aminoethyl)onate
(2-Aminoethyl)onic acid
(2-aminoethyl)phosphonate
(2-Aminoethyl)phosphonic acid
2-Aminoethylonate
2-Aminoethylonic acid
2-Aminoethylphosphonate
Aminoethylonate
Aminoethylonic acid
Aminoethylphosphonic acid
b-Aminoethylonate
b-Aminoethylonic acid
beta-Aminoethylonate
beta-Aminoethylonic acid
beta-Aminoethylphosphonic acid
Ciliatine
Onoethylamine
Phosphonoethylamine
β-aminoethylonate
β-aminoethylonic acid
C2H8NO3P
125.0636
125.024179639
(2-aminoethyl)phosphonic acid
ciliatine
2041-14-7
NCCP(O)(O)=O
InChI=1S/C2H8NO3P/c3-1-2-7(4,5)6/h1-3H2,(H2,4,5,6)
QQVDJLLNRSOCEL-UHFFFAOYSA-N
belongs to the class of organic compounds known as organic phosphonic acids. These are organic compounds containing phosphonic acid.
Organic phosphonic acids
Organic compounds
Organic acids and derivatives
Organic phosphonic acids and derivatives
Organic phosphonic acids
Aliphatic acyclic compounds
Hydrocarbon derivatives
Monoalkylamines
Organic oxides
Organophosphorus compounds
Organopnictogen compounds
Aliphatic acyclic compound
Amine
Hydrocarbon derivative
Organic nitrogen compound
Organic oxide
Organic oxygen compound
Organonitrogen compound
Organophosphonic acid
Organophosphorus compound
Organopnictogen compound
Primary aliphatic amine
Primary amine
phosphonic acids
primary amino compound
Solid
logp
-1.55
logs
-0.55
solubility
3.53e+01 g/l
logp
-3.2
pka_strongest_acidic
1.53
pka_strongest_basic
10.43
iupac
(2-aminoethyl)phosphonic acid
average_mass
125.0636
mono_mass
125.024179639
smiles
NCCP(O)(O)=O
formula
C2H8NO3P
inchi
InChI=1S/C2H8NO3P/c3-1-2-7(4,5)6/h1-3H2,(H2,4,5,6)
inchikey
QQVDJLLNRSOCEL-UHFFFAOYSA-N
polar_surface_area
83.55
refractivity
25.25
polarizability
10.24
rotatable_bond_count
2
acceptor_count
4
donor_count
3
physiological_charge
0
formal_charge
0
Specdb::MsIr
2601
Specdb::MsIr
2602
Specdb::MsIr
2603
Specdb::CMs
17561
Specdb::CMs
30165
Specdb::CMs
30252
Specdb::CMs
30497
Specdb::CMs
30842
Specdb::CMs
32167
Specdb::CMs
99989
Specdb::CMs
99990
Specdb::CMs
99991
Specdb::CMs
99992
Specdb::CMs
99993
Specdb::CMs
133808
Specdb::CMs
141542
Specdb::NmrOneD
94472
Specdb::NmrOneD
94473
Specdb::NmrOneD
94474
Specdb::NmrOneD
94475
Specdb::NmrOneD
94476
Specdb::NmrOneD
94477
Specdb::NmrOneD
94478
Specdb::NmrOneD
94479
Specdb::NmrOneD
94480
Specdb::NmrOneD
94481
Specdb::NmrOneD
94482
Specdb::NmrOneD
94483
Specdb::NmrOneD
94484
Specdb::NmrOneD
94485
Specdb::NmrOneD
94486
Specdb::NmrOneD
94487
Specdb::NmrOneD
94488
Specdb::NmrOneD
94489
Specdb::NmrOneD
94490
Specdb::NmrOneD
94491
Specdb::MsMs
304861
Specdb::MsMs
304862
Specdb::MsMs
304863
Specdb::MsMs
348181
Specdb::MsMs
348182
Specdb::MsMs
348183
Specdb::MsMs
437168
Specdb::MsMs
437169
Specdb::MsMs
437170
Specdb::MsMs
437171
Specdb::MsMs
437172
Specdb::MsMs
439041
Specdb::MsMs
440064
Specdb::MsMs
445611
Specdb::MsMs
445612
Specdb::MsMs
445613
Specdb::MsMs
445614
Specdb::MsMs
445615
Specdb::MsMs
447967
Specdb::MsMs
451894
Specdb::MsMs
2234065
Specdb::MsMs
2234860
Specdb::MsMs
2252883
Specdb::MsMs
2253574
Specdb::MsMs
2254925
HMDB11747
15573
P7I
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
Ethanolamine-phosphate cytidylyltransferase
Q99447
PCYT2