| Properties | Image |
MNX_ID | MNXM318463 |
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reference | slm:000024961 |
formula | C40H69O8P |
global charge | -2 |
mol weight | 708.958 |
InChIKey | GWDQZZZLOJUKLH-AFAXPBNPSA-L |
InChI | InChI=1S/C40H71O8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-27-28-30-32-34-39(41)46-36-38(37-47-49(43,44)45)48-40(42)35-33-31-29-26-14-12-10-8-6-4-2/h11,13,16-17,19-20,22-23,38H,3-10,12,14-15,18,21,24-37H2,1-2H3,(H2,43,44,45)/p-2/b13-11-,17-16-,20-19-,23-22-/t38-/m1/s1 |
SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])OC(=O)CCCCCCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C40H71O8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-27-28-30-32-34-39(41)46-36-38(37-47-49(43,44)45)48-40(42)35-33-31-29-26-14-12-10-8-6-4-2/h11,13,16-17,19-20,22-23,38H,3-10,12,14-15,18,21,24-37H2,1-2H3,(H2,43,44,45)/b13-11-,17-16-,20-19-,23-22-/t38-/m1/s1 |
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SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18]/[CH:19]=[CH:20]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24][CH2:25][CH2:27][CH2:28][CH2:30][CH2:32][CH2:34][C:39](=[O:41])[O:46][CH2:36][C@H:38]([CH2:37][O:47][P:49]([OH:43])([OH:44])=[O:45])[O:48][C:40]([CH2:35][CH2:33][CH2:31][CH2:29][CH2:26][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:42] |
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