1.0
2010-04-08 22:05:39 UTC
2019-11-26 02:58:26 UTC
FDB003081
Pentacosanoic acid
Isolated from Citrus bergamia (bergamot orange)
Pentacosanoic acid is a saturated fatty acid. Research shows that the degree of demyelination was related to the pentacosanoic acid in a patient with adrenoleukodystrophy (PMID: 4045498). Pentacosanoic acid is found in citrus.
Hyenate
Hyenic acid
N-pentacosanoate
N-pentacosanoic acid
Pentacosanoate
C25H50O2
382.6633
382.381080844
pentacosanoic acid
pentacosanoic acid
506-38-7
CCCCCCCCCCCCCCCCCCCCCCCCC(O)=O
InChI=1S/C25H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27/h2-24H2,1H3,(H,26,27)
MWMPEAHGUXCSMY-UHFFFAOYSA-N
belongs to the class of organic compounds known as very long-chain fatty acids. These are fatty acids with an aliphatic tail that contains at least 22 carbon atoms.
Very long-chain fatty acids
Organic compounds
Lipids and lipid-like molecules
Fatty Acyls
Fatty acids and conjugates
Aliphatic acyclic compounds
Carbonyl compounds
Carboxylic acids
Hydrocarbon derivatives
Monocarboxylic acids and derivatives
Organic oxides
Straight chain fatty acids
Aliphatic acyclic compound
Carbonyl group
Carboxylic acid
Carboxylic acid derivative
Hydrocarbon derivative
Monocarboxylic acid or derivatives
Organic oxide
Organic oxygen compound
Organooxygen compound
Straight chain fatty acid
Very long-chain fatty acid
Straight chain fatty acids
straight-chain saturated fatty acid
very long-chain fatty acid
Solid
logp
9.73
logs
-7.29
solubility
1.98e-05 g/l
melting_point
Mp 84-85°
logp
10.26
pka_strongest_acidic
4.95
iupac
pentacosanoic acid
average_mass
382.6633
mono_mass
382.381080844
smiles
CCCCCCCCCCCCCCCCCCCCCCCCC(O)=O
formula
C25H50O2
inchi
InChI=1S/C25H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27/h2-24H2,1H3,(H,26,27)
inchikey
MWMPEAHGUXCSMY-UHFFFAOYSA-N
polar_surface_area
37.3
refractivity
118.49
polarizability
53.74
rotatable_bond_count
23
acceptor_count
2
donor_count
1
physiological_charge
-1
formal_charge
0
Specdb::NmrOneD
1881
Specdb::NmrTwoD
1818
Specdb::CMs
2200
Specdb::CMs
24299
Specdb::CMs
31414
Specdb::CMs
38390
Specdb::CMs
159844
Specdb::MsMs
2082
Specdb::MsMs
319822
Specdb::MsMs
319823
Specdb::MsMs
319824
Specdb::MsMs
367048
Specdb::MsMs
367049
Specdb::MsMs
367050
Specdb::MsMs
2452123
Specdb::MsMs
2452124
Specdb::MsMs
2452125
Specdb::MsMs
2483239
Specdb::MsMs
2483240
Specdb::MsMs
2483241
HMDB02361
39420
#<Reference:0x0000555674016e20>
#<Reference:0x0000555674016b78>
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
Citrus
Unknown
generic
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