| Properties | Image |
|---|
| MNX_ID | MNXM25094 |
 |
| reference | lipidmapsM:LMSP0503AE04 |
| formula | C74H135N3O28 |
| global charge | 0 |
| mol weight | 1514.887 |
| InChIKey | TYVUHZBZRRTVCR-KDQBHRRXSA-N |
| InChI | InChI=1S/C74H135N3O28/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-54(86)77-47(48(85)37-35-33-31-29-27-25-18-16-14-12-10-8-6-2)44-96-72-63(93)61(91)67(52(42-81)100-72)103-73-64(94)62(92)66(53(43-82)101-73)102-71-56(76-46(4)84)68(58(88)50(40-79)98-71)104-74-65(95)69(59(89)51(41-80)99-74)105-70-55(75-45(3)83)60(90)57(87)49(39-78)97-70/h35,37,47-53,55-74,78-82,85,87-95H,5-34,36,38-44H2,1-4H3,(H,75,83)(H,76,84)(H,77,86)/b37-35+/t47-,48+,49+,50+,51+,52+,53+,55+,56+,57+,58-,59-,60+,61+,62+,63+,64+,65+,66-,67+,68+,69-,70-,71-,72+,73-,74-/m0/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]5NC(C)=O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C74H135N3O28/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-54(86)77-47(48(85)37-35-33-31-29-27-25-18-16-14-12-10-8-6-2)44-96-72-63(93)61(91)67(52(42-81)100-72)103-73-64(94)62(92)66(53(43-82)101-73)102-71-56(76-46(4)84)68(58(88)50(40-79)98-71)104-74-65(95)69(59(89)51(41-80)99-74)105-70-55(75-45(3)83)60(90)57(87)49(39-78)97-70/h35,37,47-53,55-74,78-82,85,87-95H,5-34,36,38-44H2,1-4H3,(H,75,83)(H,76,84)(H,77,86)/b37-35+/t47-,48+,49+,50+,51+,52+,53+,55+,56+,57+,58-,59-,60+,61+,62+,63+,64+,65+,66-,67+,68+,69-,70-,71-,72+,73-,74-/m0/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:54](=[N:77][C@@H:47]([CH2:44][O:96][C@H:72]1[C@H:63]([OH:93])[C@@H:61]([OH:91])[C@H:67]([O:103][C@H:73]2[C@H:64]([OH:94])[C@@H:62]([OH:92])[C@@H:66]([O:102][C@H:71]3[C@H:56]([N:76]=[C:46]([CH3:4])[OH:84])[C@@H:68]([O:104][C@H:74]4[C@H:65]([OH:95])[C@@H:69]([O:105][C@H:70]5[C@H:55]([N:75]=[C:45]([CH3:3])[OH:83])[C@@H:60]([OH:90])[C@H:57]([OH:87])[C@@H:49]([CH2:39][OH:78])[O:97]5)[C@@H:59]([OH:89])[C@@H:51]([CH2:41][OH:80])[O:99]4)[C@@H:58]([OH:88])[C@@H:50]([CH2:40][OH:79])[O:98]3)[C@@H:53]([CH2:43][OH:82])[O:101]2)[C@@H:52]([CH2:42][OH:81])[O:100]1)[C@@H:48](/[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:85])[OH:86] |
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