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ursodeoxycholate

MNXM728839 is deprecated and replaced by MNXM728837
PropertiesImage
MNX_IDMNXM728837 Image of MNXM728837
referencechebi:78604
formulaC24H39O4
global charge-1
mol weight391.572
InChIKeyRUDATBOHQWOJDD-UZVSRGJWSA-M
InChIInChI=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
SMILESC[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@]12C
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM728837
SMILES (mnx)[CH3:1][C@H:14]([CH2:4][CH2:7][C:21](=[O:27])[OH:28])[C@H:17]1[CH2:5][CH2:6][C@H:18]2[C@H:22]3[C@H:19]([CH2:9][CH2:11][C@:24]12[CH3:3])[C@@:23]1([CH3:2])[CH2:10][CH2:8][C@@H:16]([OH:25])[CH2:12][C@H:15]1[CH2:13][C@@H:20]3[OH:26]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)21
in models (compartimentalized) 15
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:78604
chebi:78604
RUDATBOHQWOJDD-UZVSRGJWSA-M 		ursodeoxycholate
(3alpha,5beta,7beta)-3,7-dihydroxycholan-24-oate

SLM:000485390
slm:000485390
RUDATBOHQWOJDD-UZVSRGJWSA-M 		3alpha,7beta-dihydroxy-5beta-cholan-24-oate

bigg.metabolite:HC02194
biggM:HC02194
RUDATBOHQWOJDD-UZVSRGJWSA-M 		Ursodeoxycholate
hmdb:HMDB0000946
RUDATBOHQWOJDD-UZVSRGJWSA-N 		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
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
RUDATBOHQWOJDD-UZVSRGJWSA-N 		Ursodeoxycholic acid
3alpha,7beta-Dihydroxy-5beta-cholan-24-oic Acid
O4
ST 24:1
UDCA
Ursodeoxycholate
Ursodiol

kegg.drug:D00734
keggD:D00734
RUDATBOHQWOJDD-UZVSRGJWSA-N 		Ursodiol (USP)
Actigall (TN)
Urso (TN)
Ursodeoxycholic acid (JP18/INN)

vmhM:HC02194
vmhmetabolite:HC02194
RUDATBOHQWOJDD-UZVSRGJWSA-M 		Ursodiol
(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

seed.compound:cpd04945
seedM:cpd04945
RUDATBOHQWOJDD-UZVSRGJWSA-M 		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
RUDATBOHQWOJDD-UZVSRGJWSA-N 		Ursodiol
3alpha,7beta-Dihydroxy-5beta-cholan-24-oic acid
Ursodeoxycholate
Ursodeoxycholic acid

sabiork.compound:9984
sabiorkM:9984
RUDATBOHQWOJDD-UZVSRGJWSA-N 		Ursodiol
Ursodeoxycholic acid

metacyc.compound:CPD-10534
metacycM:CPD-10534
RUDATBOHQWOJDD-UZVSRGJWSA-M 		ursodeoxycholate
3alpha,7beta-dihydroxy-5beta-cholan-24-oate
UDCA
ursodeoxycholic acid

CHEBI:9907
chebi:9907
RUDATBOHQWOJDD-UZVSRGJWSA-N 		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
vmhM:M_HC02194 		secondary/obsolete/fantasy identifier