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(25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-26-al

PropertiesImage
MNX_IDMNXM1583855 Image of MNXM1583855
referencemetacycM:CPD-10587
formulaC27H46O3
global charge0
mol weight418.662
InChIKeyYWGOKHMOJTZGBN-WKNWCLFJSA-N
InChIInChI=1S/C27H46O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h16-25,29-30H,5-15H2,1-4H3/t17-,18-,19+,20-,21-,22+,23+,24-,25+,26+,27-/m1/s1
SMILESC[C@H](CCC[C@@H](C)C=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/C27H46O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h16-25,29-30H,5-15H2,1-4H3/t17-,18-,19+,20-,21-,22+,23+,24-,25+,26+,27-/m1/s1 Image of MNXM1583855
SMILES (mnx)[CH3:1][C@H:17]([CH2:6][CH2:5][CH2:7][C@@H:18]([CH3:2])[C@H:21]1[CH2:8][CH2:9][C@H:22]2[C@H:25]3[C@H:23]([CH2:11][CH2:13][C@:27]12[CH3:4])[C@@:26]1([CH3:3])[CH2:12][CH2:10][C@@H:20]([OH:29])[CH2:14][C@H:19]1[CH2:15][C@H:24]3[OH:30])[CH:16]=[O:28]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)15
in models (compartimentalized) 14
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-10587
metacycM:CPD-10587
seed.compound:cpd22726
seedM:cpd22726
YWGOKHMOJTZGBN-WKNWCLFJSA-N 		(25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-26-al

bigg.metabolite:xol7ah2al
biggM:xol7ah2al
seed.compound:cpd03228
seedM:cpd03228
kegg.compound:C05445
keggC:C05445
YWGOKHMOJTZGBN-UGMUFZQESA-N 		3alpha,7alpha-Dihydroxy-5beta-cholestan-26-al
metatlas:MAM00756
YWGOKHMOJTZGBN-UGMUFZQESA-N 		3alpha,7alpha-dihydroxy-5beta-cholestan-26-al

reactome:R-ALL-193435
CHEBI:27428
chebi:27428
YWGOKHMOJTZGBN-UGMUFZQESA-N 		3alpha,7alpha-dihydroxy-5beta-cholestan-26-al
3alpha,7alpha-Dihydroxy-5beta-cholestan-26-al

lipidmaps:LMST04030162
lipidmapsM:LMST04030162
YWGOKHMOJTZGBN-UGMUFZQESA-N 		3alpha,7alpha-dihydroxy-5beta-cholestan-26-al
3alpha,7alpha-Dihydroxy-5beta-cholestan-26-al
3alpha,7alpha-dihydroxy-5beta-cholestan-26-al
O3
ST 27:1

metatlas:MAM00756c
metatlas:MAM00756m
chebi:1706
chebi:20231
biggM:M_xol7ah2al
keggC:M_C05445
seedM:M_cpd03228
seedM:M_cpd22726 		secondary/obsolete/fantasy identifier