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(Q63399414)
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English
(4R)-4-[(3R,5R,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
392.29265975999994
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
(4R)-4-[(3S,5R,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(4R)-4-[(3R,5S,7S,8S,9R,10S,13R,14S,17S)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(4R)-4-[(3S,5R,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
isoursodeoxycholic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
ursodiol
1 reference
based on heuristic
inferred from InChI
Allochenodeoxycholate
1 reference
based on heuristic
inferred from InChI
chenodiol
1 reference
based on heuristic
inferred from InChI
3beta,7alpha-dihydroxy-5beta-cholan-24-oic acid
1 reference
based on heuristic
inferred from InChI
(4R)-4-[(3R,5S,7R,8S,9R,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₄H₄₀O₄
0 references
canonical SMILES
CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@@H]4[C@@]3(CC[C@H](C4)O)C)O)C
0 references
Identifiers
InChI
InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17-,18+,19+,20+,22+,23+,24-/m1/s1
0 references
InChIKey
RUDATBOHQWOJDD-SHOXBNBYSA-N
0 references
PubChem CID
5283828
0 references
UniChem compound ID
55049289
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Nihon_Univ-NU000266
0 references
MSBNK-Nihon_Univ-NU000267
0 references
MSBNK-Nihon_Univ-NU000268
0 references
MSBNK-Nihon_Univ-NU000269
0 references
MSBNK-Nihon_Univ-NU000270
0 references
LIPID MAPS ID
LMST04010037
1 reference
stated in
LIPID MAPS
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
retrieved
30 June 2018
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