| Properties | Image |
MNX_ID | MNXM349597 |
 |
reference | slm:000041636 |
formula | C31H60O10P |
global charge | -1 |
mol weight | 623.785 |
InChIKey | KFUQJDWAOFWMIO-URLMMPGGSA-M |
InChI | InChI=1S/C31H61O10P/c1-4-5-6-7-8-9-12-15-18-21-30(34)38-25-29(26-40-42(36,37)39-24-28(33)23-32)41-31(35)22-19-16-13-10-11-14-17-20-27(2)3/h27-29,32-33H,4-26H2,1-3H3,(H,36,37)/p-1/t28-,29+/m0/s1 |
SMILES | CCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](O)CO)OC(=O)CCCCCCCCCC(C)C |
MNX internals
InChI (mnx) | InChI=1/C31H61O10P/c1-4-5-6-7-8-9-12-15-18-21-30(34)38-25-29(26-40-42(36,37)39-24-28(33)23-32)41-31(35)22-19-16-13-10-11-14-17-20-27(2)3/h27-29,32-33H,4-26H2,1-3H3,(H,36,37)/t28-,29+/m0/s1 |
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SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:12][CH2:15][CH2:18][CH2:21][C:30](=[O:34])[O:38][CH2:25][C@H:29]([CH2:26][O:40][P:42]([OH:36])(=[O:37])[O:39][CH2:24][C@H:28]([CH2:23][OH:32])[OH:33])[O:41][C:31]([CH2:22][CH2:19][CH2:16][CH2:13][CH2:10][CH2:11][CH2:14][CH2:17][CH2:20][CH:27]([CH3:2])[CH3:3])=[O:35] |
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