Search MNXref
SystemsX.ch
The Swiss Initiative in Systems Biology
 Feedback

1,3,12-Trihydroxycholan-24-oic acid

PropertiesImageOccurences in reactions
MNX_IDMNXM32220Image of MNXM32220
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC24H40O5
charge0
mass408.28757
referencechebi:156200
InChIKeyDAKYVYUAVGJDRK-JZBKOBKOSA-N
InChIInChI=1S/C24H40O5/c1-13(4-9-22(28)29)17-7-8-18-16-6-5-14-10-15(25)11-20(26)23(14,2)19(16)12-21(27)24(17,18)3/h13-21,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14?,15?,16+,17-,18+,19+,20?,21?,23+,24-/m1/s1
SMILESC[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CCC4CC(O)CC(O)[C@]4(C)[C@H]3CC(O)[C@@]21C
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:156200
chebi:156200 		1,3,12-Trihydroxycholan-24-oic acid
(4R)-4-[(8S,9S,10S,13R,14S,17R)-1,3,12-trihydroxy-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
hmdb:HMDB0000371 1,3,12-Trihydroxycholan-24-oic acid
(4R)-4-[(1S,2S,10S,11S,14R,15R)-3,5,16-Trihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]pentanoate
(4R)-4-[(1S,2S,10S,11S,14R,15R)-3,5,16-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]pentanoic acid
1 beta,3 alpha,12 alpha-Trihydroxy-5 beta-cholanoic acid
1,3,12-Trihydroxy-5b-cholanoate
1,3,12-Trihydroxy-5b-cholanoic acid
1,3,12-Trihydroxy-cholan-24-Oate
1,3,12-Trihydroxy-cholan-24-Oic acid
1,3,12-Trihydroxycholan-24-Oate
1,3,12-Trihydroxycholanoic acid
hmdb:HMDB00371 secondary/obsolete/fantasy identifier