| Properties | Image |
|---|
| MNX_ID | MNXM160146 |
 |
| reference | lipidmapsM:LMGP15010199 |
| formula | C73H131O38P |
| global charge | 0 |
| mol weight | 1647.787 |
| InChIKey | LLZMAMABRYSFJJ-JZWJAZNPSA-N |
| InChI | InChI=1S/C73H131O38P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-47(77)103-40(35-98-46(76)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)36-102-112(96,97)111-68-66(109-72-64(94)54(84)49(79)42(34-75)105-72)59(89)58(88)60(90)67(68)110-73-65(95)57(87)52(82)45(108-73)39-101-71-63(93)56(86)51(81)44(107-71)38-100-70-62(92)55(85)50(80)43(106-70)37-99-69-61(91)53(83)48(78)41(33-74)104-69/h17-18,40-45,48-75,78-95H,3-16,19-39H2,1-2H3,(H,96,97)/b18-17-/t40-,41-,42-,43-,44-,45-,48-,49-,50-,51-,52-,53+,54+,55+,56+,57+,58-,59-,60+,61+,62+,63+,64+,65+,66+,67+,68-,69+,70+,71+,72-,73-/m1/s1 |
| SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)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]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C73H131O38P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-47(77)103-40(35-98-46(76)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)36-102-112(96,97)111-68-66(109-72-64(94)54(84)49(79)42(34-75)105-72)59(89)58(88)60(90)67(68)110-73-65(95)57(87)52(82)45(108-73)39-101-71-63(93)56(86)51(81)44(107-71)38-100-70-62(92)55(85)50(80)43(106-70)37-99-69-61(91)53(83)48(78)41(33-74)104-69/h17-18,40-45,48-75,78-95H,3-16,19-39H2,1-2H3,(H,96,97)/b18-17-/t40-,41-,42-,43-,44-,45-,48-,49-,50-,51-,52-,53+,54+,55+,56+,57+,58-,59-,60+,61+,62+,63+,64+,65+,66+,67+,68-,69+,70+,71+,72-,73-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15]/[CH:17]=[CH:18]\[CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][C:47](=[O:77])[O:103][C@H:40]([CH2:35][O:98][C:46]([CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:19][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:76])[CH2:36][O:102][P:112]([OH:96])(=[O:97])[O:111][C@@H:68]1[C@@H:66]([O:109][C@@H:72]2[C@@H:64]([OH:94])[C@@H:54]([OH:84])[C@H:49]([OH:79])[C@@H:42]([CH2:34][OH:75])[O:105]2)[C@H:59]([OH:89])[C@@H:58]([OH:88])[C@H:60]([OH:90])[C@@H:67]1[O:110][C@@H:73]1[C@@H:65]([OH:95])[C@@H:57]([OH:87])[C@H:52]([OH:82])[C@@H:45]([CH2:39][O:101][C@@H:71]2[C@@H:63]([OH:93])[C@@H:56]([OH:86])[C@H:51]([OH:81])[C@@H:44]([CH2:38][O:100][C@@H:70]3[C@@H:62]([OH:92])[C@@H:55]([OH:85])[C@H:50]([OH:80])[C@@H:43]([CH2:37][O:99][C@@H:69]4[C@@H:61]([OH:91])[C@@H:53]([OH:83])[C@H:48]([OH:78])[C@@H:41]([CH2:33][OH:74])[O:104]4)[O:106]3)[O:107]2)[O:108]1 |
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