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chenodeoxycholate

PropertiesImage
MNX_IDMNXM727182 Image of MNXM727182
referencechebi:36234
formulaC24H39O4
global charge-1
mol weight391.572
InChIKeyRUDATBOHQWOJDD-BSWAIDMHSA-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 MNXM727182
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)53
in models (compartimentalized) 49
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-192442
reactome:R-ALL-194127
reactome:R-ALL-444824
reactome:R-ALL-4755453
CHEBI:36234
chebi:36234
RUDATBOHQWOJDD-BSWAIDMHSA-M 		chenodeoxycholate
3alpha,7alpha-dihydroxy-5beta-cholan-24-oate
chenodeoxycholate anion
chenodeoxycholate(1-)

bigg.metabolite:C02528
biggM:C02528
RUDATBOHQWOJDD-BSWAIDMHSA-N 		Chenodeoxycholate

vmhM:cdchac
vmhM:cdchac
vmhmetabolite:cdchac
vmhmetabolite:cdchac
RUDATBOHQWOJDD-PPLPPVGQSA-M 		Chenodeoxycholate
(+)-Chenodeoxycholate
(+)-Chenodeoxycholic acid
(3a,5b,7a)-3,7-Dihydroxy-cholan-24-Oate
(3a,5b,7a)-3,7-Dihydroxy-cholan-24-Oic acid
3a,7a-Dihydroxy-5b,14a,17b-cholanate
3a,7a-Dihydroxy-5b,14a,17b-cholanic acid
3a,7a-Dihydroxy-5b-cholan-24-Oate
3a,7a-Dihydroxy-5b-cholan-24-Oic acid
3a,7a-Dihydroxy-5b-cholanate
3a,7a-Dihydroxy-5b-cholanic acid
3alpha,7alpha-Dihydroxy-5beta-cholanate
3alpha,7alpha-Dihydroxy-5beta-cholanic acid
3alpha,7alpha-dihydroxy-5beta-cholanate
3alpha,7alpha-dihydroxy-5beta-cholanic acid
7a-Hydroxy-desoxycholsaeure
7a-Hydroxylithocholate
7a-Hydroxylithocholic acid
7alpha-Hydroxylithocholate
7alpha-Hydroxylithocholic acid
7alpha-hydroxylithocholate
7alpha-hydroxylithocholic acid
Acid, chenic
Acid, chenique
Acid, chenodeoxycholic
Acid, gallodesoxycholic
Anthropodeoxycholate
Anthropodeoxycholic acid
Anthropodesoxycholate
Anthropodesoxycholic acid
Antigen brand OF chenodeoxycholic acid
CDCA
Cell signaling agent
Cellular membrane
Cf
Chenate
Chenic acid
Chenique acid
Chenix
Chenodeoxycholate
Chenodeoxycholate, sodium
Chenodesoxycholsaeure
Chenodiol
Chenofalk
Chenophalk
Cytoplasma
Digestion
Estedi brand OF chenodeoxycholic acid
Extracellular region
Faecal
Faeces
Falk brand OF chenodeoxycholic acid
Fecal
Gallodesoxycholate
Gallodesoxycholic acid
Henohol
Lipid metabolic process
Liver tissue
Membrane integrity agent
Membrane stability agent
Mucoviscidosis
Mucovoidosis
Pbc
Quenobilan
Quenocol
Signal transduction
Signaling agent
Signalling molecule
Sodium chenodeoxycholate
Solvay brand OF chenodeoxycholic acid
Stool
Surface-active agent
Tramedico brand OF chenodeoxycholic acid
Zambon brand OF chenodeoxycholic acid

sabiork.compound:6249
sabiorkM:6249
RUDATBOHQWOJDD-BSWAIDMHSA-M 		Chenodeoxycholate
3alpha,7alpha-Dihydroxy-5beta-cholanate
3alpha,7alpha-Dihydroxy-5beta-cholanic acid
Chenodeoxycholic acid

kegg.compound:C02528
keggC:C02528
RUDATBOHQWOJDD-BSWAIDMHSA-N 		Chenodeoxycholate
3alpha,7alpha-Dihydroxy-5beta-cholanic acid
Chenodeoxycholic acid
Chenodiol

lipidmaps:LMST04010032
lipidmapsM:LMST04010032
RUDATBOHQWOJDD-BSWAIDMHSA-N 		Chenodeoxycholic Acid
3alpha,7alpha-Dihydroxy-5beta-cholan-24-oic Acid
CDCA
O4
ST 24:1
hmdb:HMDB0000518
RUDATBOHQWOJDD-BSWAIDMHSA-N 		Chenodeoxycholic acid
(+)-Chenodeoxycholate
(+)-Chenodeoxycholic acid
(3a,5b,7a)-3,7-Dihydroxy-cholan-24-Oate
(3a,5b,7a)-3,7-Dihydroxy-cholan-24-Oic acid
(4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanoic acid
3a,7a-Dihydroxy-5b,14a,17b-cholanate
3a,7a-Dihydroxy-5b,14a,17b-cholanic acid
3a,7a-Dihydroxy-5b-cholan-24-Oate
3a,7a-Dihydroxy-5b-cholan-24-Oic acid
3a,7a-Dihydroxy-5b-cholanate
3a,7a-Dihydroxy-5b-cholanic acid
3alpha,7alpha-Dihydroxy-5beta-cholanate
3alpha,7alpha-Dihydroxy-5beta-cholanic acid
3alpha,7alpha-dihydroxy-5beta-cholanate
3alpha,7alpha-dihydroxy-5beta-cholanic acid
7a-Hydroxy-desoxycholsaeure
7a-Hydroxylithocholate
7a-Hydroxylithocholic acid
7alpha-Hydroxylithocholate
7alpha-Hydroxylithocholic acid
7alpha-hydroxylithocholate
7alpha-hydroxylithocholic acid
Acid, chenic
Acid, chenique
Acid, chenodeoxycholic
Acid, gallodesoxycholic
Anthropodeoxycholate
Anthropodeoxycholic acid
Anthropodesoxycholate
Anthropodesoxycholic acid
Antigen brand OF chenodeoxycholic acid
CDCA
Chenate
Chenic acid
Chenique acid
Chenix
Chenodeoxycholate
Chenodeoxycholate, sodium
Chenodesoxycholsaeure
Chenodiol
Chenofalk
Chenophalk
Estedi brand OF chenodeoxycholic acid
Falk brand OF chenodeoxycholic acid
Gallodesoxycholate
Gallodesoxycholic acid
Henohol
Quenobilan
Quenocol
Sodium chenodeoxycholate
Solvay brand OF chenodeoxycholic acid
Tramedico brand OF chenodeoxycholic acid
Zambon brand OF chenodeoxycholic acid

kegg.drug:D00163
keggD:D00163
RUDATBOHQWOJDD-BSWAIDMHSA-N 		Chenodiol (USAN)
Chenix (TN)
Chenodeoxycholic acid (JP18/INN)

seed.compound:cpd01663
seedM:cpd01663
RUDATBOHQWOJDD-BSWAIDMHSA-M 		Chenodiol
3alpha, 7alpha-dihydroxy-5beta-cholanic acid
3alpha,7alpha-Dihydroxy-5beta-cholanic acid
Chenodeoxycholate
Chenodeoxycholic acid
chenic acid
chenodeoxycholate
chenodexycholic acid
chenodiol

SLM:000000861
slm:000000861
RUDATBOHQWOJDD-BSWAIDMHSA-M 		chenodeoxycholate

metacyc.compound:CPD-15189
metacycM:CPD-15189
RUDATBOHQWOJDD-BSWAIDMHSA-M 		chenodeoxycholate
3alpha, 7alpha-dihydroxy-5beta-cholanic acid
CDCA
chenic acid
chenodeoxycholic acid
chenodiol

CHEBI:16755
chebi:16755
RUDATBOHQWOJDD-BSWAIDMHSA-N 		chenodeoxycholic acid
3alpha,7alpha-Dihydroxy-5beta-cholanic acid
3alpha,7alpha-dihydroxy-5beta-cholan-24-oic acid
7alpha-hydroxylithocholic acid
CDCA
Chenix
Chenodeoxycholic acid
Chenodiol
anthropodeoxycholic acid
anthropodesoxycholic acid
chenic acid
gallodesoxycholic acid
metatlas:MAM01435
RUDATBOHQWOJDD-BSWAIDMHSA-N 		chenodiol

hmdb:HMDB00518
chebi:13960
chebi:23093
chebi:23094
chebi:3588
chebi:3593
chebi:57884
vmhM:C02528
vmhM:C02528
vmhM:HC00958
vmhM:HC00958
biggM:M_C02528
keggC:M_C02528
keggD:M_D00163
seedM:M_cpd01663
vmhM:M_cdchac 		secondary/obsolete/fantasy identifier