| Properties | Image |
|---|
| MNX_ID | MNXM160087 |
 |
| reference | lipidmapsM:LMGP15010140 |
| formula | C60H107O28P |
| global charge | 0 |
| mol weight | 1307.462 |
| InChIKey | DLYYGQJEEPSDQN-ZSYBAHNUSA-N |
| InChI | InChI=1S/C60H107O28P/c1-3-5-7-9-11-13-15-16-17-18-19-21-22-24-26-28-30-41(63)79-34-37(82-42(64)31-29-27-25-23-20-14-12-10-8-6-4-2)35-81-89(77,78)88-57-55(86-59-53(75)47(69)44(66)39(33-62)84-59)50(72)49(71)51(73)56(57)87-60-54(76)48(70)45(67)40(85-60)36-80-58-52(74)46(68)43(65)38(32-61)83-58/h13,15,17-18,37-40,43-62,65-76H,3-12,14,16,19-36H2,1-2H3,(H,77,78)/b15-13-,18-17-/t37-,38-,39-,40-,43-,44-,45-,46+,47+,48+,49-,50-,51+,52+,53+,54+,55+,56+,57-,58+,59-,60-/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]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O)OC(=O)CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C60H107O28P/c1-3-5-7-9-11-13-15-16-17-18-19-21-22-24-26-28-30-41(63)79-34-37(82-42(64)31-29-27-25-23-20-14-12-10-8-6-4-2)35-81-89(77,78)88-57-55(86-59-53(75)47(69)44(66)39(33-62)84-59)50(72)49(71)51(73)56(57)87-60-54(76)48(70)45(67)40(85-60)36-80-58-52(74)46(68)43(65)38(32-61)83-58/h13,15,17-18,37-40,43-62,65-76H,3-12,14,16,19-36H2,1-2H3,(H,77,78)/b15-13-,18-17-/t37-,38-,39-,40-,43-,44-,45-,46+,47+,48+,49-,50-,51+,52+,53+,54+,55+,56+,57-,58+,59-,60-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19][CH2:21][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][C:41](=[O:63])[O:79][CH2:34][C@H:37]([CH2:35][O:81][P:89]([OH:77])(=[O:78])[O:88][C@@H:57]1[C@@H:55]([O:86][C@@H:59]2[C@@H:53]([OH:75])[C@@H:47]([OH:69])[C@H:44]([OH:66])[C@@H:39]([CH2:33][OH:62])[O:84]2)[C@H:50]([OH:72])[C@@H:49]([OH:71])[C@H:51]([OH:73])[C@@H:56]1[O:87][C@@H:60]1[C@@H:54]([OH:76])[C@@H:48]([OH:70])[C@H:45]([OH:67])[C@@H:40]([CH2:36][O:80][C@@H:58]2[C@@H:52]([OH:74])[C@@H:46]([OH:68])[C@H:43]([OH:65])[C@@H:38]([CH2:32][OH:61])[O:83]2)[O:85]1)[O:82][C:42]([CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:20][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:64] |
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