| Properties | Image |
MNX_ID | MNXM191006 |
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reference | slm:000036852 |
formula | C42H72O10P |
global charge | -1 |
mol weight | 768.002 |
InChIKey | RRRPAKHJIKYJOW-BNILDIGZSA-M |
InChI | InChI=1S/C42H73O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12-15,18,20,24,26,39-40,43-44H,3-5,7,9-11,16-17,19,21-23,25,27-38H2,1-2H3,(H,47,48)/p-1/b8-6-,14-12-,15-13+,20-18-,26-24-/t39-,40+/m0/s1 |
SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C/CCCCCC)COP(=O)([O-])OC[C@@H](O)CO |
MNX internals
InChI (mnx) | InChI=1/C42H73O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12-15,18,20,24,26,39-40,43-44H,3-5,7,9-11,16-17,19,21-23,25,27-38H2,1-2H3,(H,47,48)/b8-6-,14-12-,15-13+,20-18-,26-24-/t39-,40+/m0/s1 |
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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][CH2:27][CH2:29][CH2:31][CH2:33][C:41](=[O:45])[O:49][CH2:37][C@H:40]([CH2:38][O:51][P:53]([OH:47])(=[O:48])[O:50][CH2:36][C@H:39]([CH2:35][OH:43])[OH:44])[O:52][C:42]([CH2:34][CH2:32][CH2:30][CH2:28]/[CH:26]=[CH:24]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:46] |
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