| Properties | Image |
MNX_ID | MNXM90512 |
 |
reference | biggM:pa141 |
formula | C31H56O8P |
global charge | -1 |
mol weight | 587.755 |
InChIKey | YHCODXWOEMUSCB-UHFFFAOYSA-M |
InChI | InChI=1S/C31H57O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-30(32)37-27-29(28-38-40(34,35)36)39-31(33)26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,29H,3-12,17-28H2,1-2H3,(H2,34,35,36)/p-1 |
SMILES | CCCCCCC=CCCCCCC(=O)OCC(COP(=O)([O-])O)OC(=O)CCCCCC=CCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C31H57O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-30(32)37-27-29(28-38-40(34,35)36)39-31(33)26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,29H,3-12,17-28H2,1-2H3,(H2,34,35,36)/b15-13?,16-14?/t29? |
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SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH:13]=[CH:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][C:30](=[O:32])[O:37][CH2:27][CH:29]([CH2:28][O:38][P:40]([OH:34])([OH:35])=[O:36])[O:39][C:31]([CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH:16]=[CH:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:33] |
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