Search MNXref
 Feedback

(24S)-3alpha,7alpha,24-trihydroxy-5beta-cholestan-26-al

PropertiesImage
MNX_IDMNXM30749 Image of MNXM30749
referencechebi:63848
formulaC27H46O4
global charge0
mol weight434.661
InChIKeyGDUNLMLXJUYQIN-MNABXBHASA-N
InChIInChI=1S/C27H46O4/c1-16(5-8-23(30)17(2)15-28)20-6-7-21-25-22(10-12-27(20,21)4)26(3)11-9-19(29)13-18(26)14-24(25)31/h15-25,29-31H,5-14H2,1-4H3/t16-,17?,18+,19-,20-,21+,22+,23+,24-,25+,26+,27-/m1/s1
SMILESCC(C=O)[C@@H](O)CC[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
MNX internals
InChI (mnx)InChI=1/C27H46O4/c1-16(5-8-23(30)17(2)15-28)20-6-7-21-25-22(10-12-27(20,21)4)26(3)11-9-19(29)13-18(26)14-24(25)31/h15-25,29-31H,5-14H2,1-4H3/t16-,17?,18+,19-,20-,21+,22+,23+,24-,25+,26+,27-/m1/s1 Image of MNXM30749
SMILES (mnx)[CH3:1][C@H:16]([CH2:5][CH2:8][C@@H:23]([CH:17]([CH3:2])[CH:15]=[O:28])[OH:30])[C@H:20]1[CH2:6][CH2:7][C@H:21]2[C@H:25]3[C@H:22]([CH2:10][CH2:12][C@:27]12[CH3:4])[C@@:26]1([CH3:3])[CH2:11][CH2:9][C@@H:19]([OH:29])[CH2:13][C@H:18]1[CH2:14][C@H:24]3[OH:31]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-193716
reactomeM:R-ALL-193716
CHEBI:63848
chebi:63848
GDUNLMLXJUYQIN-MNABXBHASA-N 		(24S)-3alpha,7alpha,24-trihydroxy-5beta-cholestan-26-al
3alpha,7alpha,24(S)-trihydroxy-5beta-cholestan-27-al
hmdb:HMDB0062208
GDUNLMLXJUYQIN-MNABXBHASA-N 		3alpha,7alpha,24(S)-trihydroxy-5beta-cholestan-27-al
(24S)-3a,7a,24-Trihydroxy-5b-cholestan-26-al
(24S)-3alpha,7alpha,24-trihydroxy-5beta-cholestan-26-al
(3S,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]-3-hydroxy-2-methylheptanal
3a,7a,24(S)-Trihydroxy-5b-cholestan-27-al
3alpha,7alpha,24(S)-Trihydroxy-5beta-cholestan-27-al

lipidmaps:LMST04030154
lipidmapsM:LMST04030154
GDUNLMLXJUYQIN-ZUMVMERMSA-N 		3alpha,7alpha,24-trihydroxy-5beta-cholestan-26-al
3alpha,7alpha,24-trihydroxy-5beta-cholestan-26-al
3alpha,7alpha,24-trihydroxy-5beta-cholestan-27-al
O4
ST 27:1

CHEBI:48734
chebi:48734
GDUNLMLXJUYQIN-ZUMVMERMSA-N 		3alpha,7alpha,24-trihydroxy-5beta-cholestan-26-al
3alpha,7alpha,24-trihydroxy-5beta-cholestan-27-al

hmdb:HMDB62208 		secondary/obsolete/fantasy identifier