| Properties | Image |
|---|
| MNX_ID | MNXM24242 |
 |
| reference | lipidmapsM:LMSP0505AB04 |
| formula | C72H132N2O27 |
| global charge | 0 |
| mol weight | 1457.835 |
| InChIKey | GNNGMCLOQNJIAV-UPMWPNNYSA-N |
| InChI | InChI=1S/C72H132N2O27/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-52(81)74-46(47(80)37-35-33-31-29-27-25-18-16-14-12-10-8-6-2)43-92-69-62(90)59(87)64(50(41-77)97-69)98-72-63(91)67(56(84)49(40-76)95-72)101-68-53(73-45(4)79)66(100-70-60(88)57(85)54(82)44(3)93-70)65(51(42-78)96-68)99-71-61(89)58(86)55(83)48(39-75)94-71/h35,37,44,46-51,53-72,75-78,80,82-91H,5-34,36,38-43H2,1-4H3,(H,73,79)(H,74,81)/b37-35+/t44-,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+/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]4O)[C@H](O[C@H]4O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C72H132N2O27/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-52(81)74-46(47(80)37-35-33-31-29-27-25-18-16-14-12-10-8-6-2)43-92-69-62(90)59(87)64(50(41-77)97-69)98-72-63(91)67(56(84)49(40-76)95-72)101-68-53(73-45(4)79)66(100-70-60(88)57(85)54(82)44(3)93-70)65(51(42-78)96-68)99-71-61(89)58(86)55(83)48(39-75)94-71/h35,37,44,46-51,53-72,75-78,80,82-91H,5-34,36,38-43H2,1-4H3,(H,73,79)(H,74,81)/b37-35+/t44-,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+/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][CH2:23][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][C:52](=[N:74][C@@H:46]([CH2:43][O:92][C@H:69]1[C@H:62]([OH:90])[C@@H:59]([OH:87])[C@H:64]([O:98][C@H:72]2[C@H:63]([OH:91])[C@@H:67]([O:101][C@H:68]3[C@H:53]([N:73]=[C:45]([CH3:4])[OH:79])[C@@H:66]([O:100][C@@H:70]4[C@@H:60]([OH:88])[C@H:57]([OH:85])[C@H:54]([OH:82])[C@@H:44]([CH3:3])[O:93]4)[C@H:65]([O:99][C@H:71]4[C@H:61]([OH:89])[C@@H:58]([OH:86])[C@@H:55]([OH:83])[C@@H:48]([CH2:39][OH:75])[O:94]4)[C@@H:51]([CH2:42][OH:78])[O:96]3)[C@@H:56]([OH:84])[C@@H:49]([CH2:40][OH:76])[O:95]2)[C@@H:50]([CH2:41][OH:77])[O:97]1)[C@@H:47](/[CH:37]=[CH:35]/[CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:80])[OH:81] |
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