C40-hydroxyphthioceranate

Properties Image MNX_ID MNXM56915 reference metacycM:CPD-18594 formula C40H79O3 global charge -1 mol weight 608.069 InChIKey HCTBUGXAFRDFOG-WVPQRUSMSA-M InChI InChI=1S/C40H80O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-39(41)37(8)29-35(6)27-33(4)25-31(2)24-32(3)26-34(5)28-36(7)30-38(9)40(42)43/h31-39,41H,10-30H2,1-9H3,(H,42,43)/p-1/t31-,32+,33-,34+,35-,36+,37-,38+,39?/m1/s1 SMILES CCCCCCCCCCCCCCCC(O)[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C40H80O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-39(41)37(8)29-35(6)27-33(4)25-31(2)24-32(3)26-34(5)28-36(7)30-38(9)40(42)43/h31-39,41H,10-30H2,1-9H3,(H,42,43)/t31-,32+,33-,34+,35-,36+,37-,38+,39?/m1/s1 SMILES (mnx) [CH3:1][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][CH2:23][CH:39]([C@H:37]([CH3:8])[CH2:29][C@H:35]([CH3:6])[CH2:27][C@H:33]([CH3:4])[CH2:25][C@H:31]([CH3:2])[CH2:24][C@H:32]([CH3:3])[CH2:26][C@H:34]([CH3:5])[CH2:28][C@H:36]([CH3:7])[CH2:30][C@H:38]([CH3:9])[C:40](=[O:42])[OH:43])[OH:41]

Parent-child relations graph

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