Search MNXref
 Feedback

3beta,5alpha,9alpha-Trihydroxy-ergosta-7-en-6-one

PropertiesImage
MNX_IDMNXM117256 Image of MNXM117256
referencelipidmapsM:LMST01031331
formulaC28H46O4
global charge0
mol weight446.672
InChIKeyWNCDXWLLIJDSNA-ZFZPKPCHSA-N
InChIInChI=1S/C28H46O4/c1-17(2)18(3)7-8-19(4)21-9-10-22-23-15-24(30)28(32)16-20(29)11-12-26(28,6)27(23,31)14-13-25(21,22)5/h15,17-22,29,31-32H,7-14,16H2,1-6H3/t18-,19+,20-,21+,22-,25+,26+,27+,28-/m0/s1
SMILESCC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@]12C
MNX internals
InChI (mnx)InChI=1/C28H46O4/c1-17(2)18(3)7-8-19(4)21-9-10-22-23-15-24(30)28(32)16-20(29)11-12-26(28,6)27(23,31)14-13-25(21,22)5/h15,17-22,29,31-32H,7-14,16H2,1-6H3/t18-,19+,20-,21+,22-,25+,26+,27+,28-/m0/s1 Image of MNXM117256
SMILES (mnx)[CH3:1][CH:17]([CH3:2])[C@@H:18]([CH3:3])[CH2:7][CH2:8][C@@H:19]([CH3:4])[C@H:21]1[CH2:9][CH2:10][C@H:22]2[C:23]3=[CH:15][C:24](=[O:30])[C@@:28]4([OH:32])[CH2:16][C@@H:20]([OH:29])[CH2:11][CH2:12][C@:26]4([CH3:6])[C@@:27]3([OH:31])[CH2:14][CH2:13][C@:25]12[CH3:5]
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

lipidmaps:LMST01031331
lipidmapsM:LMST01031331
WNCDXWLLIJDSNA-ZFZPKPCHSA-N 		3beta,5alpha,9alpha-Trihydroxy-ergosta-7-en-6-one
O4
ST 28:2
hmdb:HMDB0032875
WNCDXWLLIJDSNA-UHFFFAOYSA-N 		3,5,9-Trihydroxyergost-7-en-6-one
14-(5,6-dimethylheptan-2-yl)-1,5,7-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-8-one
3,5,9-Trihydroxy-24-methylcholest-7-en-6-one

CHEBI:178536
chebi:178536
WNCDXWLLIJDSNA-UHFFFAOYSA-N 		3,5,9-Trihydroxyergost-7-en-6-one
17-(5,6-dimethylheptan-2-yl)-3,5,9-trihydroxy-10,13-dimethyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-6-one

hmdb:HMDB32875 		secondary/obsolete/fantasy identifier