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lumisterol 3

Properties

Image

Occurences in reactions

MNX_ID

MNXM19109

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	1

formula

C₂₇H₄₄O

charge

mass

384.33922

reference

chebi:166836

InChIKey

UCTLRSWJYQTBFZ-XMVWLVNMSA-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/h9-10,18-19,21,23-25,28H,6-8,11-17H2,1-5H3/t19-,21+,23-,24+,25-,26-,27-/m1/s1

SMILES

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@@]4(C)[C@@H]3CC[C@@]21C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:166836 chebi:166836	lumisterol 3 9beta,10alpha-cholesta-5,7-dien-3beta-ol
bigg.metabolite:lum3 biggM:lum3	Lumisterol 3
hmdb:HMDB0006505	Lumisterol 3 (1R,2S,5S,11R,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-7,9-dien-5-ol (3b,9b,10a)-Cholesta-5,7-dien-3-ol 9b,10a-Cholesta-5,7-dien-3b-ol 9beta,10alpha-Cholesta-5,7-dien-3beta-ol lumisterol 3
lipidmaps:LMST01010247 lipidmapsM:LMST01010247	Lumisterol 3 O ST 27:2
hmdb:HMDB06505 biggM:M_lum3	secondary/obsolete/fantasy identifier