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4alpha-formylzymosterol

MNXM89470 is deprecated and here replaced by MNXM739479
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM739479 Image of MNXM739479
referencechebi:146131
formulaC28H44O2
global charge0
mol weight412.658
InChIKeyZLQSSFNCEUGGJF-NUESBDPTSA-N
InChIInChI=1S/C28H44O2/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/h7,17,19,21-24,26,30H,6,8-16H2,1-5H3/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](C=O)[C@@H]1CC3
MNX internals
InChI (mnx)InChI=1/C28H44O2/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/h7,17,19,21-24,26,30H,6,8-16H2,1-5H3/t19-,21+,22-,23+,24+,26+,27-,28+/m1/s1 Image of MNXM739479
SMILES (mnx)[CH3:1][C:18]([CH3:2])=[CH: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]([CH:17]=[O: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)14
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:146131
chebi:146131
ZLQSSFNCEUGGJF-NUESBDPTSA-N 		4alpha-formylzymosterol
(1R,3aR,5aS,6S,7S,9aS,11aR)-7-hydroxy-9a,11a-dimethyl-1-[(2R)-6-methylhept-5-en-2-yl]-2,3,3a,4,5,5a,6,7,8,9,9a,10,11,11a-tetradecahydro-1H-cyclopenta[a]phenanthrene-6-carbaldehyde
3beta-hydroxy-5alpha-cholesta-8,24-diene-4alpha-carbaldehyde

lipidmaps:LMST01010226
lipidmapsM:LMST01010226
ZLQSSFNCEUGGJF-NUESBDPTSA-N 		4alpha-Formyl-5alpha-cholesta-8,24-dien-3beta-ol
O2
ST 28:3

metacyc.compound:CPD-4580
metacycM:CPD-4580
seed.compound:cpd24506
seedM:cpd24506
ZLQSSFNCEUGGJF-NUESBDPTSA-N 		4alpha-formyl-5alpha-cholesta-8,24-dien-3beta-ol
hmdb:HMDB0062389
ZLQSSFNCEUGGJF-NUESBDPTSA-N 		4alpha-formyl-5alpha-cholesta-8,24-dien-3beta-ol
(2S,5S,6S,7S,11R,14R,15R)-5-hydroxy-2,15-dimethyl-14-[(2R)-6-methylhept-5-en-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-ene-6-carbaldehyde

hmdb:HMDB62389
seedM:M_cpd24506 		secondary/obsolete/fantasy identifier