| Properties | Image |
MNX_ID | MNXM359812 |
 |
reference | slm:000041869 |
formula | C51H88O10P |
global charge | -1 |
mol weight | 892.229 |
InChIKey | GUAWPXCFRSQNOL-HMFRKOOVSA-M |
InChI | InChI=1S/C51H89O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-51(55)61-49(47-60-62(56,57)59-45-48(53)44-52)46-58-50(54)42-40-38-36-34-32-30-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,24-25,27-28,48-49,52-53H,3-4,6,8-10,12,14-16,18,20,23,26,29-47H2,1-2H3,(H,56,57)/p-1/b7-5-,13-11-,19-17-,22-21-,25-24-,28-27-/t48-,49+/m0/s1 |
SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCC)COP(=O)([O-])OC[C@@H](O)CO |
MNX internals
InChI (mnx) | InChI=1/C51H89O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-51(55)61-49(47-60-62(56,57)59-45-48(53)44-52)46-58-50(54)42-40-38-36-34-32-30-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,24-25,27-28,48-49,52-53H,3-4,6,8-10,12,14-16,18,20,23,26,29-47H2,1-2H3,(H,56,57)/b7-5-,13-11-,19-17-,22-21-,25-24-,28-27-/t48-,49+/m0/s1 |
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SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26]/[CH:27]=[CH:28]\[CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][C:51](=[O:55])[O:61][C@H:49]([CH2:46][O:58][C:50]([CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:54])[CH2:47][O:60][P:62]([OH:56])(=[O:57])[O:59][CH2:45][C@H:48]([CH2:44][OH:52])[OH:53] |
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