bacteriohopanetetrol

Properties Image MNX_ID MNXM736036 reference metacycM:CPD-14519 formula C35H62O4 global charge 0 mol weight 546.877 InChIKey JMKBTQYGOKJMBJ-CFWIQLKESA-N InChI InChI=1S/C35H62O4/c1-22(9-10-25(37)30(39)26(38)21-36)23-13-18-32(4)24(23)14-19-34(6)28(32)11-12-29-33(5)17-8-16-31(2,3)27(33)15-20-35(29,34)7/h22-30,36-39H,8-21H2,1-7H3/t22?,23?,24?,25-,26+,27?,28?,29?,30-,32+,33+,34-,35-/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)CCCC(C)(C)C3CC[C@]21C MNX internals InChI (mnx) InChI=1/C35H62O4/c1-22(9-10-25(37)30(39)26(38)21-36)23-13-18-32(4)24(23)14-19-34(6)28(32)11-12-29-33(5)17-8-16-31(2,3)27(33)15-20-35(29,34)7/h22-30,36-39H,8-21H2,1-7H3/t22?,23?,24?,25-,26+,27?,28?,29?,30-,32+,33+,34-,35-/m1/s1 SMILES (mnx) [CH3:1][CH:22]([CH2:9][CH2:10][C@H:25]([C@H:30]([C@H:26]([CH2:21][OH:36])[OH:38])[OH:39])[OH:37])[CH:23]1[CH2:13][CH2:18][C@@:32]2([CH3:4])[CH:24]1[CH2:14][CH2:19][C@:34]1([CH3:6])[CH:28]2[CH2:11][CH2:12][CH:29]2[C@@:33]3([CH3:5])[CH2:17][CH2:8][CH2:16][C:31]([CH3:2])([CH3:3])[CH:27]3[CH2:15][CH2:20][C@:35]21[CH3:7]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0