loading...| Preferred Name |
lithocholic acid |
|
| Synonyms |
Lithocholic acid 3alpha-hydroxy-5beta-cholan-24-oic acid 3alpha-Hydroxy-5beta-cholanate 3alpha-Hydroxy-5beta-cholanic acid 3alpha-hydroxy-5beta-cholanic acid (3alpha,5beta)-3-hydroxycholan-24-oic acid 5beta-cholanic acid-3alpha-ol 3alpha-hydroxy-5beta-cholanoic acid |
|
| Definitions |
A monohydroxy-5beta-cholanic acid with a alpha-hydroxy substituent at position 3. It is a bile acid obtained from chenodeoxycholic acid by bacterial action. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_16325 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:23639599 MetaCyc:CPD-7235 LIPID_MAPS_instance:LMST04010003 Wikipedia:Lithocholic_acid PMID:24332653 CAS:434-13-9 PMID:20622262 Reaxys:3217757 PMID:24399466 Beilstein:3217757 PMID:24270587 PMID:7068113 PDBeChem:4OA LINCS:LSM-5371 HMDB:HMDB0000761 KEGG:C03990 |
|
| definition |
A monohydroxy-5beta-cholanic acid with a alpha-hydroxy substituent at position 3. It is a bile acid obtained from chenodeoxycholic acid by bacterial action. |
|
| formula |
C24H40O3 |
|
| has_alternative_id |
CHEBI:20238 CHEBI:20239 CHEBI:1711 |
|
| has_exact_synonym |
Lithocholic acid 3alpha-hydroxy-5beta-cholan-24-oic acid |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
3alpha-Hydroxy-5beta-cholanate 3alpha-Hydroxy-5beta-cholanic acid 3alpha-hydroxy-5beta-cholanic acid (3alpha,5beta)-3-hydroxycholan-24-oic acid 5beta-cholanic acid-3alpha-ol 3alpha-hydroxy-5beta-cholanoic acid |
|
| id |
CHEBI:16325 |
|
| in_subset | ||
| inchi |
InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1 |
|
| inchikey |
SMEROWZSTRWXGI-HVATVPOCSA-N |
|
| is_conjugate_acid_of | ||
| label |
lithocholic acid |
|
| mass |
376.57260 |
|
| monoisotopicmass |
376.29775 |
|
| notation |
CHEBI:16325 |
|
| prefLabel |
lithocholic acid |
|
| RO_0000087 |
http://purl.obolibrary.org/obo/CHEBI_176497 |
|
| smiles |
[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@H](O)C2 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_131620 |