Search MNXref
 Feedback

lmst01010314

PropertiesImage
MNX_IDMNXM23167 Image of MNXM23167
referencechebi:230587
formulaC27H40O4
global charge0
mol weight428.613
InChIKeyRPOZHMVPPTWLDB-JXGGVMLASA-N
InChIInChI=1S/C27H40O4/c1-16(2)7-6-12-27(5,31)24-23(30)22(29)21-19-9-8-17-15-18(28)10-13-25(17,3)20(19)11-14-26(21,24)4/h15-16,19-20,24,29,31H,6-14H2,1-5H3/t19-,20+,24+,25+,26+,27?/m1/s1
SMILESCC(C)CCCC(C)(O)[C@H]1C(=O)C(O)=C2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
MNX internals
InChI (mnx)InChI=1/C27H40O4/c1-16(2)7-6-12-27(5,31)24-23(30)22(29)21-19-9-8-17-15-18(28)10-13-25(17,3)20(19)11-14-26(21,24)4/h15-16,19-20,24,29,31H,6-14H2,1-5H3/t19-,20+,24+,25+,26+,27?/m1/s1 Image of MNXM23167
SMILES (mnx)[CH3:1][CH:16]([CH3:2])[CH2:7][CH2:6][CH2:12][C:27]([CH3:5])([C@H:24]1[C:23](=[O:30])[C:22]([OH:29])=[C:21]2[C@@H:19]3[CH2:9][CH2:8][C:17]4=[CH:15][C:18](=[O:28])[CH2:10][CH2:13][C@:25]4([CH3:3])[C@H:20]3[CH2:11][CH2:14][C@@:26]21[CH3:4])[OH:31]
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:230587
chebi:230587
RPOZHMVPPTWLDB-JXGGVMLASA-N 		lmst01010314
(8R,9S,10R,13R,17S)-15-hydroxy-17-(2-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2,6,7,8,9,11,12,17-octahydro-1H-cyclopenta[a]phenanthrene-3,16-dione

lipidmaps:LMST01010314
lipidmapsM:LMST01010314
RPOZHMVPPTWLDB-JXGGVMLASA-N 		15,20-dihydroxycholest-4,14-dien-3,16-dione
O4
ST 27:4
cholest-4,14-dien-15,20-diol-3,16-dione