| Properties | Image |
|---|
| MNX_ID | MNXM1102431 |
 |
| reference | lipidmapsM:LMSP0505CU01 |
| formula | C74H133N3O32 |
| global charge | 0 |
| mol weight | 1576.867 |
| InChIKey | LPGGWPQGMRIFOC-QWQSRSDZSA-N |
| InChI | InChI=1S/C74H133N3O32/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-44(85)43(77-50(86)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2)39-98-71-62(96)60(94)65(49(38-82)104-71)105-73-63(97)66(55(89)46(35-79)101-73)107-70-52(76-42(5)84)58(92)64(48(37-81)103-70)106-74-68(109-72-61(95)59(93)53(87)40(3)99-72)67(56(90)47(36-80)102-74)108-69-51(75-41(4)83)57(91)54(88)45(34-78)100-69/h30,32,40,43-49,51-74,78-82,85,87-97H,6-29,31,33-39H2,1-5H3,(H,75,83)(H,76,84)(H,77,86)/b32-30+/t40-,43+,44-,45-,46-,47-,48-,49-,51-,52-,53-,54+,55+,56+,57-,58-,59-,60-,61+,62-,63-,64-,65-,66+,67+,68-,69-,70+,71-,72-,73+,74+/m1/s1 |
| SMILES | CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O[C@H]4O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C74H133N3O32/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-44(85)43(77-50(86)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2)39-98-71-62(96)60(94)65(49(38-82)104-71)105-73-63(97)66(55(89)46(35-79)101-73)107-70-52(76-42(5)84)58(92)64(48(37-81)103-70)106-74-68(109-72-61(95)59(93)53(87)40(3)99-72)67(56(90)47(36-80)102-74)108-69-51(75-41(4)83)57(91)54(88)45(34-78)100-69/h30,32,40,43-49,51-74,78-82,85,87-97H,6-29,31,33-39H2,1-5H3,(H,75,83)(H,76,84)(H,77,86)/b32-30+/t40-,43+,44-,45-,46-,47-,48-,49-,51-,52-,53-,54+,55+,56+,57-,58-,59-,60-,61+,62-,63-,64-,65-,66+,67+,68-,69-,70+,71-,72-,73+,74+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28]/[CH:30]=[CH:32]/[C@H:44]([C@H:43]([CH2:39][O:98][C@H:71]1[C@H:62]([OH:96])[C@@H:60]([OH:94])[C@H:65]([O:105][C@H:73]2[C@H:63]([OH:97])[C@@H:66]([O:107][C@H:70]3[C@H:52]([N:76]=[C:42]([CH3:5])[OH:84])[C@@H:58]([OH:92])[C@H:64]([O:106][C@H:74]4[C@H:68]([O:109][C@@H:72]5[C@@H:61]([OH:95])[C@H:59]([OH:93])[C@H:53]([OH:87])[C@@H:40]([CH3:3])[O:99]5)[C@@H:67]([O:108][C@@H:69]5[C@H:51]([N:75]=[C:41]([CH3:4])[OH:83])[C@@H:57]([OH:91])[C@@H:54]([OH:88])[C@@H:45]([CH2:34][OH:78])[O:100]5)[C@@H:56]([OH:90])[C@@H:47]([CH2:36][OH:80])[O:102]4)[C@@H:48]([CH2:37][OH:81])[O:103]3)[C@@H:55]([OH:89])[C@@H:46]([CH2:35][OH:79])[O:101]2)[C@@H:49]([CH2:38][OH:82])[O:104]1)[N:77]=[C:50]([CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])[OH:86])[OH:85] |
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