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8-Dehydrocholesterol

PropertiesImage
MNX_IDMNXM39317 Image of MNXM39317
referencechebi:89982
formulaC27H44O
global charge0
mol weight384.648
InChIKeyVUKORTMHZDZZFR-BXAZICILSA-N
InChIInChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21,23-24,28H,6-8,10-17H2,1-5H3/t19-,21+,23-,24+,26+,27-/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)CC1=CC3
MNX internals
InChI (mnx)InChI=1/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21,23-24,28H,6-8,10-17H2,1-5H3/t19-,21+,23-,24+,26+,27-/m1/s1 Image of MNXM39317
SMILES (mnx)[CH3:1][CH:18]([CH3:2])[CH2:7][CH2:6][CH2:8][C@@H:19]([CH3:3])[C@H:23]1[CH2:11][CH2:12][C@H:24]2[C:22]3=[C:25]([CH2:14][CH2:16][C@:27]12[CH3:5])[C@@:26]1([CH3:4])[CH2:15][CH2:13][C@H:21]([OH:28])[CH2:17][C:20]1=[CH:9][CH2:10]3
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 4
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:89982
chebi:89982
VUKORTMHZDZZFR-BXAZICILSA-N 		8-Dehydrocholesterol
(2S,5S,11R,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1(10),7-dien-5-ol
3b-Cholesta-5,8-dien-3-ol
hmdb:HMDB0002027
VUKORTMHZDZZFR-BXAZICILSA-N 		8-Dehydrocholesterol
(2S,5S,11R,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1(10),7-dien-5-ol
3b-Cholesta-5,8-dien-3-ol
8-dehydrocholesterol
Cholesta-5,8-dien-3 beta-ol

lipidmaps:LMST01010242
lipidmapsM:LMST01010242
VUKORTMHZDZZFR-BXAZICILSA-N 		8-Dehydrocholesterol
8-DHC
O
ST 27:2
cholesta-5,8-dien-3beta-ol

vmhM:CE1297
vmhmetabolite:CE1297
VUKORTMHZDZZFR-BXAZICILSA-N 		8-dehydrocholesterol
(2S,5S,11R,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1(10),7-dien-5-ol

bigg.metabolite:CE1297
biggM:CE1297
VUKORTMHZDZZFR-BXAZICILSA-N 		8-dehydrocholesterol
3beta-Cholesta-5,8-dien-3-ol

hmdb:HMDB02027
biggM:M_CE1297
vmhM:M_CE1297 		secondary/obsolete/fantasy identifier