2-methylbacteriohopanetetrol

Properties Image MNX_ID MNXM35273 reference metacycM:CPD-14520 formula C36H64O4 global charge 0 mol weight 560.904 InChIKey PUIJQPKZJCMHTP-VNTKYKRPSA-N InChI InChI=1S/C36H64O4/c1-22-19-32(3,4)28-15-18-36(8)30(34(28,6)20-22)12-11-29-33(5)16-13-24(25(33)14-17-35(29,36)7)23(2)9-10-26(38)31(40)27(39)21-37/h22-31,37-40H,9-21H2,1-8H3/t22-,23?,24?,25?,26-,27+,28?,29?,30?,31-,33+,34+,35-,36-/m1/s1 SMILES CC(CC[C@@H](O)[C@@H](O)[C@@H](O)CO)C1CC[C@@]2(C)C1CC[C@]1(C)C2CCC2[C@@]3(C)C[C@H](C)CC(C)(C)C3CC[C@]21C MNX internals InChI (mnx) InChI=1/C36H64O4/c1-22-19-32(3,4)28-15-18-36(8)30(34(28,6)20-22)12-11-29-33(5)16-13-24(25(33)14-17-35(29,36)7)23(2)9-10-26(38)31(40)27(39)21-37/h22-31,37-40H,9-21H2,1-8H3/t22-,23?,24?,25?,26-,27+,28?,29?,30?,31-,33+,34+,35-,36-/m1/s1 SMILES (mnx) [CH3:1][C@@H:22]1[CH2:19][C:32]([CH3:3])([CH3:4])[CH:28]2[CH2:15][CH2:18][C@:36]3([CH3:8])[CH:30]([CH2:12][CH2:11][CH:29]4[C@@:33]5([CH3:5])[CH2:16][CH2:13][CH:24]([CH:23]([CH3:2])[CH2:9][CH2:10][C@H:26]([C@H:31]([C@H:27]([CH2:21][OH:37])[OH:39])[OH:40])[OH:38])[CH:25]5[CH2:14][CH2:17][C@:35]43[CH3:7])[C@@:34]2([CH3:6])[CH2:20]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0