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5beta-cholestane-3alpha,7alpha,27-triol

MNXM151435 is deprecated and here replaced by MNXM729417
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM729417 Image of MNXM729417
referencebiggM:CE0233
formulaC27H48O3
global charge0
mol weight420.678
InChIKeyUROPIWALBBMYRP-CVWSJRAXSA-N
InChIInChI=1S/C27H48O3/c1-17(7-6-12-25(2,3)30)20-8-9-21-24-22(11-14-27(20,21)5)26(4)13-10-19(28)15-18(26)16-23(24)29/h17-24,28-30H,6-16H2,1-5H3/t17-,18-,19+,20-,21-,22-,23+,24-,26?,27-/m1/s1
SMILESC[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@H]3[C@@H](CC[C@@]21C)C1(C)CC[C@H](O)C[C@@H]1C[C@@H]3O
MNX internals
InChI (mnx)InChI=1/C27H48O3/c1-17(7-6-12-25(2,3)30)20-8-9-21-24-22(11-14-27(20,21)5)26(4)13-10-19(28)15-18(26)16-23(24)29/h17-24,28-30H,6-16H2,1-5H3/t17-,18-,19+,20-,21-,22-,23+,24-,26?,27-/m1/s1 Image of MNXM729417
SMILES (mnx)[CH3:1][C@H:17]([CH2:7][CH2:6][CH2:12][C:25]([CH3:2])([CH3:3])[OH:30])[C@H:20]1[CH2:8][CH2:9][C@@H:21]2[C@@H:24]3[C@@H:22]([CH2:11][CH2:14][C@:27]12[CH3:5])[C:26]1([CH3:4])[CH2:13][CH2:10][C@H:19]([OH:28])[CH2:15][C@@H:18]1[CH2:16][C@@H:23]3[OH:29]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:CE0233
biggM:CE0233
vmhM:CE0233
vmhmetabolite:CE0233
UROPIWALBBMYRP-CVWSJRAXSA-N
UROPIWALBBMYRP-XDIQZDOASA-N 		5beta-cholestane-3alpha,7alpha,27-triol

biggM:M_CE0233
vmhM:M_CE0233 		secondary/obsolete/fantasy identifier