4alpha-formyl-ergosta-7,24(24(1))-dien-3beta-ol

Properties Image MNX_ID MNXM10256 reference chebi:142849 formula C29H46O2 global charge 0 mol weight 426.685 InChIKey RFKHEEQSEZBUAP-KMPIVKRFSA-N InChI InChI=1S/C29H46O2/c1-18(2)19(3)7-8-20(4)23-11-12-24-21-9-10-25-22(17-30)27(31)14-16-29(25,6)26(21)13-15-28(23,24)5/h9,17-18,20,22-27,31H,3,7-8,10-16H2,1-2,4-6H3/t20-,22+,23-,24+,25+,26+,27+,28-,29+/m1/s1 SMILES C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C=O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C MNX internals InChI (mnx) InChI=1/C29H46O2/c1-18(2)19(3)7-8-20(4)23-11-12-24-21-9-10-25-22(17-30)27(31)14-16-29(25,6)26(21)13-15-28(23,24)5/h9,17-18,20,22-27,31H,3,7-8,10-16H2,1-2,4-6H3/t20-,22+,23-,24+,25+,26+,27+,28-,29+/m1/s1 SMILES (mnx) [CH3:1][CH:18]([CH3:2])[C:19](=[CH2:3])[CH2:7][CH2:8][C@@H:20]([CH3:4])[C@H:23]1[CH2:11][CH2:12][C@H:24]2[C:21]3=[CH:9][CH2:10][C@H:25]4[C@H:22]([CH:17]=[O:30])[C@@H:27]([OH:31])[CH2:14][CH2:16][C@:29]4([CH3:6])[C@H:26]3[CH2:13][CH2:15][C@:28]12[CH3:5]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 10 in models (compartimentalized) 0