| Properties | Image |
|---|
| MNX_ID | MNXM26424 |
 |
| reference | lipidmapsM:LMSP0502AI03 |
| formula | C76H138N2O32 |
| global charge | 0 |
| mol weight | 1591.922 |
| InChIKey | VAIDHPZXVUMGRH-COKTVMMGSA-N |
| InChI | InChI=1S/C76H138N2O32/c1-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-52(86)78-45(46(85)35-33-31-29-27-25-23-18-16-14-12-10-8-6-2)42-99-72-63(96)60(93)66(50(40-82)104-72)106-74-64(97)61(94)67(51(41-83)105-74)107-75-65(98)69(57(90)49(39-81)102-75)109-71-53(77-44(4)84)68(56(89)48(38-80)101-71)108-76-70(59(92)55(88)47(37-79)103-76)110-73-62(95)58(91)54(87)43(3)100-73/h33,35,43,45-51,53-76,79-83,85,87-98H,5-32,34,36-42H2,1-4H3,(H,77,84)(H,78,86)/b35-33+/t43-,45+,46-,47-,48-,49-,50-,51-,53-,54-,55+,56+,57+,58-,59+,60-,61-,62+,63-,64-,65-,66-,67+,68-,69+,70-,71+,72-,73-,74+,75-,76+/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]3O[C@H](CO)[C@H](O)[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]5O[C@H]5O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C76H138N2O32/c1-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-52(86)78-45(46(85)35-33-31-29-27-25-23-18-16-14-12-10-8-6-2)42-99-72-63(96)60(93)66(50(40-82)104-72)106-74-64(97)61(94)67(51(41-83)105-74)107-75-65(98)69(57(90)49(39-81)102-75)109-71-53(77-44(4)84)68(56(89)48(38-80)101-71)108-76-70(59(92)55(88)47(37-79)103-76)110-73-62(95)58(91)54(87)43(3)100-73/h33,35,43,45-51,53-76,79-83,85,87-98H,5-32,34,36-42H2,1-4H3,(H,77,84)(H,78,86)/b35-33+/t43-,45+,46-,47-,48-,49-,50-,51-,53-,54-,55+,56+,57+,58-,59+,60-,61-,62+,63-,64-,65-,66-,67+,68-,69+,70-,71+,72-,73-,74+,75-,76+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:20][CH2:21][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][C:52](=[N:78][C@@H:45]([CH2:42][O:99][C@H:72]1[C@H:63]([OH:96])[C@@H:60]([OH:93])[C@H:66]([O:106][C@H:74]2[C@H:64]([OH:97])[C@@H:61]([OH:94])[C@@H:67]([O:107][C@@H:75]3[C@H:65]([OH:98])[C@@H:69]([O:109][C@H:71]4[C@H:53]([N:77]=[C:44]([CH3:4])[OH:84])[C@@H:68]([O:108][C@H:76]5[C@H:70]([O:110][C@@H:73]6[C@@H:62]([OH:95])[C@H:58]([OH:91])[C@H:54]([OH:87])[C@@H:43]([CH3:3])[O:100]6)[C@@H:59]([OH:92])[C@@H:55]([OH:88])[C@@H:47]([CH2:37][OH:79])[O:103]5)[C@@H:56]([OH:89])[C@@H:48]([CH2:38][OH:80])[O:101]4)[C@@H:57]([OH:90])[C@@H:49]([CH2:39][OH:81])[O:102]3)[C@@H:51]([CH2:41][OH:83])[O:105]2)[C@@H:50]([CH2:40][OH:82])[O:104]1)[C@@H:46](/[CH:35]=[CH:33]/[CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:85])[OH:86] |
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