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3alpha,7alpha-dihydroxy-5beta-cholestan-26-oic acid

MNXM162722 is deprecated and here replaced by MNXM1107208
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1107208 Image of MNXM1107208
referencechebi:16577
formulaC27H46O4
global charge0
mol weight434.661
InChIKeyITZYGDKGRKKBSN-HKFUITGCSA-N
InChIInChI=1S/C27H46O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h16-24,28-29H,5-15H2,1-4H3,(H,30,31)/t16-,17?,18+,19-,20-,21+,22+,23-,24+,26+,27-/m1/s1
SMILESCC(CCC[C@@H](C)[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)C(=O)O
MNX internals
InChI (mnx)InChI=1/C27H46O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h16-24,28-29H,5-15H2,1-4H3,(H,30,31)/t16-,17?,18+,19-,20-,21+,22+,23-,24+,26+,27-/m1/s1 Image of MNXM1107208
SMILES (mnx)[CH3:1][C@H:16]([CH2:6][CH2:5][CH2:7][CH:17]([CH3:2])[C:25](=[O:30])[OH:31])[C@H:20]1[CH2:8][CH2:9][C@H:21]2[C@H:24]3[C@H:22]([CH2:11][CH2:13][C@:27]12[CH3:4])[C@@:26]1([CH3:3])[CH2:12][CH2:10][C@@H:19]([OH:28])[CH2:14][C@H:18]1[CH2:15][C@H:23]3[OH:29]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 14
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-193440
reactomeM:R-ALL-193440
reactome:R-ALL-193505
reactomeM:R-ALL-193505
CHEBI:16577
chebi:16577
ITZYGDKGRKKBSN-HKFUITGCSA-N 		3alpha,7alpha-dihydroxy-5beta-cholestan-26-oic acid
3alpha,7alpha-Dihydroxy-5beta-cholestanate
3alpha,7alpha-Dihydroxy-5beta-cholestanoate
3alpha,7alpha-dihydroxy-5beta-cholestanic acid

lipidmaps:LMST04030066
lipidmapsM:LMST04030066
ITZYGDKGRKKBSN-HKFUITGCSA-N 		3alpha,7alpha-Dihydroxy-5beta-cholestan-26-oic acid
O4
ST 27:1

bigg.metabolite:dhcholestanate
biggM:dhcholestanate
ITZYGDKGRKKBSN-HKFUITGCSA-M 		3alpha,7alpha-Dihydroxy-5beta-cholestanate
hmdb:HMDB0000359
ITZYGDKGRKKBSN-HKFUITGCSA-N 		3alpha,7alpha-Dihydroxycoprostanic acid
(3a,5b,7a)-3,7-Dihydroxycholestan-26-Oic acid
(3alpha,5beta,7alpha)-3,7-Dihydroxycholestan-26-Oic acid
(3alpha,5beta,7alpha)-3,7-dihydroxycholestan-26-Oic acid
(6R)-6-[(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]-2-methylheptanoic acid
3a,7a-Dihydroxy-5b-cholestan-26-Oate
3a,7a-Dihydroxy-5b-cholestan-26-Oic acid
3a,7a-Dihydroxy-5b-cholestanate
3a,7a-Dihydroxy-5b-cholestanic acid
3a,7a-Dihydroxy-5b-cholestanoate
3a,7a-Dihydroxy-5b-cholestanoic acid
3a,7a-Dihydroxycoprostanate
3a,7a-Dihydroxycoprostanic acid
3a,7a-Hydroxy-5b-cholestan-26-Oate
3a,7a-Hydroxy-5b-cholestan-26-Oic acid
3a,7a-Hydroxy-5beta-cholestan-26-Oic acid
3alpha,7alpha-Dihydroxy-5beta-cholestan-26-Oate
3alpha,7alpha-Dihydroxy-5beta-cholestan-26-Oic acid
3alpha,7alpha-Dihydroxy-5beta-cholestanate
3alpha,7alpha-Dihydroxy-5beta-cholestanic acid
3alpha,7alpha-Dihydroxy-5beta-cholestanoate
3alpha,7alpha-Dihydroxy-5beta-cholestanoic acid
3alpha,7alpha-Dihydroxycoprostanate
3alpha,7alpha-Hydroxy-5beta-cholestan-26-Oic acid
3alpha,7alpha-dihydroxy-5beta-cholestan-26-Oate
3alpha,7alpha-dihydroxy-5beta-cholestan-26-Oic acid
3alpha,7alpha-dihydroxy-5beta-cholestanate
3alpha,7alpha-dihydroxy-5beta-cholestanic acid
3alpha,7alpha-dihydroxy-5beta-cholestanoate
3alpha,7alpha-dihydroxy-5beta-cholestanoic acid
3alpha,7alpha-dihydroxycoprostanate
3alpha,7alpha-dihydroxycoprostanic acid
3alpha,7alpha-hydroxy-5beta-cholestan-26-Oic acid

hmdb:HMDB0001974
hmdb:HMDB00359
hmdb:HMDB01974
chebi:11902
chebi:1707
chebi:20232
biggM:M_dhcholestanate 		secondary/obsolete/fantasy identifier