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8-Dehydrocholesterol

MNXM164395 is deprecated and replaced by MNXM39317

Properties

Image

Occurences in reactions

MNX_ID

MNXM39317

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	5

formula

C₂₇H₄₄O

charge

mass

384.33922

reference

chebi:89982

InChIKey

VUKORTMHZDZZFR-BXAZICILSA-N

InChI

InChI=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

SMILES

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)CC1=CC3

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:89982 chebi:89982	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	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	8-Dehydrocholesterol 8-DHC O ST 27:2 cholesta-5,8-dien-3beta-ol
bigg.metabolite:CE1297 biggM:CE1297	8-dehydrocholesterol 3beta-Cholesta-5,8-dien-3-ol
hmdb:HMDB02027 biggM:M_CE1297	secondary/obsolete/fantasy identifier