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

PropertiesImage
MNX_IDMNXM102194 Image of MNXM102194
referencechebi:172986
formulaC27H44O3
global charge0
mol weight416.646
InChIKeyXBWZCSLUWJGSEA-WYSYMYBOSA-N
InChIInChI=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
SMILESCC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=C[C@H]3OO
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM102194
SMILES (mnx)[CH3:1][CH:17]([CH3:2])[CH2:7][CH2:6][CH2:8][C@@H:18]([CH3:3])[C@H:21]1[CH2:9][CH2:10][C@H:22]2[C:25]3=[C:23]([CH2:12][CH2:14][C@:27]12[CH3:5])[C@@:26]1([CH3:4])[CH2:13][CH2:11][C@H:20]([OH:28])[CH2:15][C:19]1=[CH:16][C@H:24]3[O:30][OH:29]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:172986
chebi:172986
XBWZCSLUWJGSEA-WYSYMYBOSA-N 		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
XBWZCSLUWJGSEA-WYSYMYBOSA-N 		7-OOH-5,8-dien-3beta-ol
7alpha-hydroperoxy-cholesta-5,8-dien-3beta-ol
O3
ST 27:2