| Properties | Image |
|---|
| MNX_ID | MNXM159995 |
 |
| reference | lipidmapsM:LMGP15010048 |
| formula | C52H95O18P |
| global charge | 0 |
| mol weight | 1039.288 |
| InChIKey | HINDKEPRDLRXNX-GBXMAZJZSA-N |
| InChI | InChI=1S/C52H95O18P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-41(54)65-37-39(67-42(55)35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2)38-66-71(63,64)70-51-48(61)46(59)45(58)47(60)50(51)69-52-49(62)44(57)43(56)40(36-53)68-52/h13,15,19,21,39-40,43-53,56-62H,3-12,14,16-18,20,22-38H2,1-2H3,(H,63,64)/b15-13-,21-19-/t39-,40-,43-,44+,45+,46+,47-,48+,49+,50+,51+,52-/m1/s1 |
| SMILES | CCCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)OC(=O)CCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C52H95O18P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-41(54)65-37-39(67-42(55)35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2)38-66-71(63,64)70-51-48(61)46(59)45(58)47(60)50(51)69-52-49(62)44(57)43(56)40(36-53)68-52/h13,15,19,21,39-40,43-53,56-62H,3-12,14,16-18,20,22-38H2,1-2H3,(H,63,64)/b15-13-,21-19-/t39-,40-,43-,44+,45+,46+,47-,48+,49+,50+,51+,52-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:21]\[CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][C:41](=[O:54])[O:65][CH2:37][C@H:39]([CH2:38][O:66][P:71]([OH:63])(=[O:64])[O:70][C@H:51]1[C@@H:48]([OH:61])[C@@H:46]([OH:59])[C@H:45]([OH:58])[C@@H:47]([OH:60])[C@@H:50]1[O:69][C@@H:52]1[C@@H:49]([OH:62])[C@@H:44]([OH:57])[C@H:43]([OH:56])[C@@H:40]([CH2:36][OH:53])[O:68]1)[O:67][C:42]([CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:55] |
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