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7alpha-hydroperoxy-cholesta-5,8-dien-3beta-ol

Properties

Image

Occurences in reactions

MNX_ID

MNXM102194

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

formula

C₂₇H₄₄O₃

charge

mass

416.32905

reference

chebi:172986

InChIKey

XBWZCSLUWJGSEA-WYSYMYBOSA-N

InChI

InChI=1S/C27H44O3/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)30-29/h16-18,20-22,24,28-29H,6-15H2,1-5H3/t18-,20+,21-,22+,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=C[C@H]3OO

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:172986 chebi:172986	7alpha-hydroperoxy-cholesta-5,8-dien-3beta-ol (3S,7R,10S,13R,14R,17R)-7-hydroperoxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
lipidmaps:LMST01010357 lipidmapsM:LMST01010357	7-OOH-5,8-dien-3beta-ol 7alpha-hydroperoxy-cholesta-5,8-dien-3beta-ol O3 ST 27:2