C32-phthiocerol A

Properties Image MNX_ID MNXM167361 reference metacycM:CPD-18580 formula C32H66O3 global charge 0 mol weight 498.877 InChIKey LMPCWEJSURZPHA-SYEZAVJTSA-N InChI InChI=1S/C32H66O3/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-30(33)28-31(34)27-24-23-25-29(3)32(6-2)35-4/h29-34H,5-28H2,1-4H3/t29-,30+,31+,32+/m0/s1 SMILES CCCCCCCCCCCCCCCCCCC[C@@H](O)C[C@H](O)CCCC[C@H](C)[C@@H](CC)OC MNX internals InChI (mnx) InChI=1/C32H66O3/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-30(33)28-31(34)27-24-23-25-29(3)32(6-2)35-4/h29-34H,5-28H2,1-4H3/t29-,30+,31+,32+/m0/s1 SMILES (mnx) [CH3:1][CH2:5][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:26][C@H:30]([CH2:28][C@@H:31]([CH2:27][CH2:24][CH2:23][CH2:25][C@H:29]([CH3:3])[C@@H:32]([CH2:6][CH3:2])[O:35][CH3:4])[OH:34])[OH:33]

Parent-child relations graph

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