Search MNXref
 Feedback

4alpha-hydroxymethyl-5alpha-cholest-8-en-3beta-ol

MNXM10262 is deprecated and here replaced by MNXM726097
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM726097 Image of MNXM726097
referencechebi:87053
formulaC28H48O2
global charge0
mol weight416.69
InChIKeyUPEGTKGKNWDIAN-NUESBDPTSA-N
InChIInChI=1S/C28H48O2/c1-18(2)7-6-8-19(3)22-11-12-23-20-9-10-24-21(17-29)26(30)14-16-28(24,5)25(20)13-15-27(22,23)4/h18-19,21-24,26,29-30H,6-17H2,1-5H3/t19-,21+,22-,23+,24+,26+,27-,28+/m1/s1
SMILESCC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](CO)[C@@H]1CC3
MNX internals
InChI (mnx)InChI=1/C28H48O2/c1-18(2)7-6-8-19(3)22-11-12-23-20-9-10-24-21(17-29)26(30)14-16-28(24,5)25(20)13-15-27(22,23)4/h18-19,21-24,26,29-30H,6-17H2,1-5H3/t19-,21+,22-,23+,24+,26+,27-,28+/m1/s1 Image of MNXM726097
SMILES (mnx)[CH3:1][CH:18]([CH3:2])[CH2:7][CH2:6][CH2:8][C@@H:19]([CH3:3])[C@H:22]1[CH2:11][CH2:12][C@H:23]2[C:20]3=[C:25]([CH2:13][CH2:15][C@:27]12[CH3:4])[C@@:28]1([CH3:5])[CH2:16][CH2:14][C@H:26]([OH:30])[C@@H:21]([CH2:17][OH:29])[C@@H:24]1[CH2:10][CH2:9]3
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)17
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:87053
chebi:87053
UPEGTKGKNWDIAN-NUESBDPTSA-N 		4alpha-hydroxymethyl-5alpha-cholest-8-en-3beta-ol
(3beta,4alpha,5alpha)-4-(hydroxymethyl)cholest-8-en-3-ol
4alpha-(hydroxymethyl)-5alpha-cholest-8-en-3beta-ol

bigg.metabolite:M00964
biggM:M00964
UPEGTKGKNWDIAN-NUESBDPTSA-N 		4Alpha-Hydroxymethyl-5Alpha-Cholesta-8-En-3Beta-Ol

SLM:000489962
slm:000489962
UPEGTKGKNWDIAN-NUESBDPTSA-N 		4alpha-hydroxymethyl-5alpha-cholest-8-en-3beta-ol

metacyc.compound:CPD-8617
metacycM:CPD-8617
seed.compound:cpd25363
seedM:cpd25363
UPEGTKGKNWDIAN-NUESBDPTSA-N 		4alpha-hydroxymethyl-5alpha-cholesta-8-en-3beta-ol

lipidmaps:LMST01010235
lipidmapsM:LMST01010235
UPEGTKGKNWDIAN-NUESBDPTSA-N 		4alpha-hydroxymethyl-5alpha-cholesta-8-en-3beta-ol
O2
ST 28:1

biggM:M_M00964
seedM:M_cpd25363 		secondary/obsolete/fantasy identifier