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ursodeoxycholate

MNXM146506 is deprecated and here replaced by MNXM728837
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM728837

	#reac
in my sandbox	0
in MNXref (generic)	19
in models (compartimentalized)	18

formula

C₂₄H₃₉O₄

charge

-1

mass

391.28538

reference

chebi:78604

InChIKey

RUDATBOHQWOJDD-UZVSRGJWSA-M

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)/p-1/t14-,15+,16-,17-,18+,19+,20+,22+,23+,24-/m1/s1

SMILES

C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:78604 chebi:78604	ursodeoxycholate (3alpha,5beta,7beta)-3,7-dihydroxycholan-24-oate
SLM:000485390 slm:000485390	3alpha,7beta-dihydroxy-5beta-cholan-24-oate
bigg.metabolite:HC02194 biggM:HC02194	Ursodeoxycholate
hmdb:HMDB0000946	Ursodeoxycholic acid (3a,5b,7b)-3,7-Dihydroxy-cholan-24-Oate (3a,5b,7b)-3,7-Dihydroxy-cholan-24-Oic acid (3a,5b,7b)-3,7-Dihydroxycholan-24-Oate (3a,5b,7b)-3,7-Dihydroxycholan-24-Oic acid (3alpha,5beta,7beta)-3,7-Dihydroxycholan-24-Oate (3alpha,5beta,7beta)-3,7-Dihydroxycholan-24-Oic acid (3alpha,5beta,7beta)-3,7-dihydroxycholan-24-Oate (3alpha,5beta,7beta)-3,7-dihydroxycholan-24-Oic acid (4R)-4-[(1S,2S,5R,7S,9S,10R,11S,14R,15R)-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanoic acid 3 alpha,7 beta Dihydroxy 5 beta cholan 24 Oic acid 3 alpha,7 beta-Dihydroxy-5 beta-cholan-24-Oic acid 3,7-Dihydroxycholan-24-Oic acid 3-alpha,7-beta-Dihydroxy-5-beta-cholanoic acid 3-alpha,7-beta-Dihydroxycholanic acid 3-alpha,7-beta-Dioxycholanic acid 3a,7b-Dihydroxy-5b-cholan-24-Oate 3a,7b-Dihydroxy-5b-cholan-24-Oic acid 3alpha,7beta-Dihydroxy-5beta-cholan-24-Oate 3alpha,7beta-Dihydroxy-5beta-cholan-24-Oic acid 3alpha,7beta-dihydroxy-5beta-cholan-24-Oate 3alpha,7beta-dihydroxy-5beta-cholan-24-Oic acid Acid, deoxyursocholic Acid, ursacholic Acid, ursodeoxycholic Actigall Antigall Antigen brand OF ursodeoxycholic acid Aventis brand OF ursodeoxycholic acid Axcan brand OF ursodeoxycholic acid CP Brand OF ursodeoxycholic acid Cholit-ursan Cholofalk Delursan Deoxyursocholic acid Destolit Estedi brand OF ursodeoxycholic acid Falk brand OF ursodeoxycholic acid Farmasa brand OF ursodeoxycholic acid Galen brand OF ursodeoxycholic acid Heumann brand OF ursodeoxycholic acid Niddapharm brand OF ursodeoxycholic acid Norgine brand OF ursodeoxycholic acid Orphan brand OF ursodeoxycholic acid Provalis brand OF ursodeoxycholic acid Sanofi synthelabo brand OF ursodeoxycholic acid Sodium ursodeoxycholate Tramedico brand OF ursodeoxycholic acid Urdox Urosdesoxycholate Urosdesoxycholic acid Ursacholic acid Urso Urso heumann Ursobilane Ursochol Ursodeoxycholate Ursodeoxycholate, sodium Ursodeoxycholicacid Ursodexycholate Ursodexycholic acid Ursodiol Ursofalk Ursogal Ursolite Ursolvan Vita brand OF ursodeoxycholic acid Zambon brand OF ursodeoxycholic acid
lipidmaps:LMST04010033 lipidmapsM:LMST04010033	Ursodeoxycholic acid 3alpha,7beta-Dihydroxy-5beta-cholan-24-oic Acid O4 ST 24:1 Ursodeoxycholate Ursodiol
kegg.drug:D00734 keggD:D00734	Ursodiol (USP) Actigall (TN) Urso (TN) Ursodeoxycholic acid (JP18/INN)
seed.compound:cpd04945 seedM:cpd04945	Ursodiol 3alpha,7beta-Dihydroxy-5beta-cholan-24-oic acid 3alpha,7beta-dihydroxy-5beta-cholan-24-oate Ursodeoxycholate Ursodeoxycholic acid ursodeoxycholate ursodeoxycholic Acid ursodeoxycholic acid
kegg.compound:C07880 keggC:C07880	Ursodiol 3alpha,7beta-Dihydroxy-5beta-cholan-24-oic acid Ursodeoxycholate Ursodeoxycholic acid
sabiork.compound:9984 sabiorkM:9984	Ursodiol Ursodeoxycholic acid
metacyc.compound:CPD-10534 metacycM:CPD-10534	ursodeoxycholate 3alpha,7beta-dihydroxy-5beta-cholan-24-oate UDCA ursodeoxycholic acid
CHEBI:9907 chebi:9907	ursodeoxycholic acid (3alpha,5beta,7beta)-3,7-dihydroxycholan-24-oic acid 3alpha,7beta-Dihydroxy-5beta-cholan-24-oic acid 3alpha,7beta-dihydroxy-5beta-cholan-24-oic acid Actigall Ursodeoxycholate Ursodeoxycholic acid Ursodiol
hmdb:HMDB0015525 hmdb:HMDB00946 hmdb:HMDB15525 biggM:M_HC02194 keggC:M_C07880 keggD:M_D00734 seedM:M_cpd04945	secondary/obsolete/fantasy identifier