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cholate

PropertiesImageOccurences in reactions
MNX_IDMNXM735592Image of MNXM735592
#reac
in my sandbox 0
in MNXref (generic)37
in models (compartimentalized) 34
formulaC24H39O5
charge-1
mass407.2803
referencechebi:29747
InChIKeyBHQCQFFYRZLCQQ-OELDTZBJSA-M
InChIInChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/p-1/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1
SMILESC[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:29747
chebi:29747 		cholate
3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oate
3alpha,7alpha,12alpha-trihydroxy-5beta-cholanate
sabiork.compound:5188
sabiorkM:5188 		3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanate
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanic acid
Cholate
Cholic acid
hmdb:HMDB0000505 Allocholic acid
(3a,5a,7a,12a)-3,7,12-Trihydroxycholan-24-Oate
(3a,5a,7a,12a)-3,7,12-Trihydroxycholan-24-Oic acid
(3a,5b,7a,12a)-3,7,12-Trihydroxycholan-24-Oate
(3a,5b,7a,12a)-3,7,12-Trihydroxycholan-24-Oic acid
(3alpha,5alpha,7alpha,12alpha)-3,7,12-Trihydroxycholan-24-Oate
(3alpha,5alpha,7alpha,12alpha)-3,7,12-trihydroxycholan-24-Oate
(3alpha,5alpha,7alpha,12alpha)-3,7,12-trihydroxycholan-24-Oic acid
(3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxycholan-24-Oate
(3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxycholan-24-Oic acid
(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxycholan-24-Oate
(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxycholan-24-Oic acid
(4R)-4-[(1S,2S,5R,7R,9R,10R,11S,14R,15R,16S)-5,9,16-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanoic acid
3a,7a,12a-Trihydroxy-5a-cholanoate
3a,7a,12a-Trihydroxy-5a-cholanoic acid
3a,7a,12a-Trihydroxy-5b-cholan-24-Oate
3a,7a,12a-Trihydroxy-5b-cholan-24-Oic acid
3a,7a,12a-Trihydroxycholanate
3a,7a,12a-Trihydroxycholanic acid
3alpha,7alpha,12alpha-Trihydroxy-5alpha-cholanoate
3alpha,7alpha,12alpha-Trihydroxy-5alpha-cholanoic acid
5a-Cholate
5a-Cholic acid
5alpha-Allocholic acid
5alpha-Cholate
5alpha-Cholic acid
5alpha-allocholic acid
Allocholate
bigg.metabolite:cholate
biggM:cholate 		Cholate c
seed.compound:cpd00526
seedM:cpd00526 		Cholate
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanate
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanic acid
3alpha,7alpha,12alpha-trihydroxy-5-beta-cholanoate
3alpha,7alpha,12alpha-trihydroxy-5-beta-cholanoic acid
3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oate
Cholic acid
cholate
cholic acid
kegg.drug:D10699
keggD:D10699 		Cholic acid (USAN)
Cholbam (TN)
hmdb:HMDB0000619 Cholic acid
(3a,5b,7a,12a)-3,7,12-Trihydroxycholan-24-Oate
(3a,5b,7a,12a)-3,7,12-Trihydroxycholan-24-Oic acid
(3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxycholan-24-Oate
(3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxycholan-24-Oic acid
(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxycholan-24-Oate
(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxycholan-24-Oic acid
(4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R,16S)-5,9,16-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanoic acid
17b-[1-Methyl-3-carboxypropyl]etiocholane-3a,7a,12a-triol
3a,7a,12a-Trihydroxy-5b-cholan-24-Oate
3a,7a,12a-Trihydroxy-5b-cholan-24-Oic acid
3a,7a,12a-Trihydroxy-5b-cholanate
3a,7a,12a-Trihydroxy-5b-cholanic acid
3a,7a,12a-Trihydroxy-5b-cholanoate
3a,7a,12a-Trihydroxy-5b-cholanoic acid
3a,7a,12a-Trihydroxy-b-cholanate
3a,7a,12a-Trihydroxy-b-cholanic acid
3a,7a,12a-Trihydroxy-beta-cholanate
3a,7a,12a-Trihydroxy-beta-cholanic acid
3a,7a,12a-Trihydroxycholanate
3a,7a,12a-Trihydroxycholanic acid
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanate
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanic acid
3alpha,7alpha,12alpha-trihydroxy-5beta-cholanate
3alpha,7alpha,12alpha-trihydroxy-5beta-cholanic acid
5b-Cholanic acid-3a,7a,12a-triol
5b-Cholate
5b-Cholic acid
Acid, cholic
Allocholate
Cholalate
Cholalic acid
Cholalin
Cholate
Cholsaeure
Colalin
lipidmaps:LMST04010001
lipidmapsM:LMST04010001 		Cholic acid
3Alpha,7Alpha,12Alpha-trihydroxy-5Beta-cholan-24-oic acid
Cholic Acid
O5
ST 24:1
kegg.compound:C00695
keggC:C00695 		Cholic acid
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanate
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanic acid
Cholate
SLM:000000859
slm:000000859 		cholate
metacyc.compound:CHOLATE
metacycM:CHOLATE 		cholate
3alpha,7alpha,12alpha-trihydroxy-5-beta-cholanoate
3alpha,7alpha,12alpha-trihydroxy-5-beta-cholanoic acid
3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oate
cholic acid
reactome:R-ALL-192431
reactomeM:R-ALL-192431
reactome:R-ALL-193451
reactomeM:R-ALL-193451
reactome:R-ALL-193473
reactomeM:R-ALL-193473
reactome:R-ALL-444831
reactomeM:R-ALL-444831
CHEBI:16359
chebi:16359 		cholic acid
(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxycholan-24-oic acid
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanate
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanic acid
3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oic acid
3alpha,7alpha,12alpha-trihydroxy-5beta-cholanic acid
CHOLIC ACID
Cholic acid
Cholsaeure
hmdb:HMDB00505
hmdb:HMDB00619
chebi:11895
chebi:13978
chebi:1694
chebi:20216
chebi:20223
chebi:23168
chebi:23210
chebi:41494
chebi:57748
biggM:M_cholate
keggC:M_C00695
keggD:M_D10699
seedM:M_cpd00526 		secondary/obsolete/fantasy identifier