| Properties | Image |
|---|
| MNX_ID | MNXM28572 |
 |
| reference | lipidmapsM:LMSP0505AD07 |
| formula | C74H134N2O27 |
| global charge | 0 |
| mol weight | 1483.873 |
| InChIKey | HQKROMNEXASEJC-BFIRSSPDSA-N |
| InChI | InChI=1S/C74H134N2O27/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-54(83)76-48(49(82)39-37-35-33-31-29-27-18-16-14-12-10-8-6-2)45-94-71-64(92)62(90)67(53(44-80)99-71)100-73-65(93)68(58(86)51(42-78)96-73)102-70-55(75-47(4)81)59(87)66(52(43-79)98-70)101-74-69(61(89)57(85)50(41-77)97-74)103-72-63(91)60(88)56(84)46(3)95-72/h19-20,37,39,46,48-53,55-74,77-80,82,84-93H,5-18,21-36,38,40-45H2,1-4H3,(H,75,81)(H,76,83)/b20-19-,39-37+/t46-,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+/m1/s1 |
| SMILES | CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)N[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]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)[C@H](O)/C=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C74H134N2O27/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-54(83)76-48(49(82)39-37-35-33-31-29-27-18-16-14-12-10-8-6-2)45-94-71-64(92)62(90)67(53(44-80)99-71)100-73-65(93)68(58(86)51(42-78)96-73)102-70-55(75-47(4)81)59(87)66(52(43-79)98-70)101-74-69(61(89)57(85)50(41-77)97-74)103-72-63(91)60(88)56(84)46(3)95-72/h19-20,37,39,46,48-53,55-74,77-80,82,84-93H,5-18,21-36,38,40-45H2,1-4H3,(H,75,81)(H,76,83)/b20-19-,39-37+/t46-,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+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17]/[CH:19]=[CH:20]\[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][C:54](=[N:76][C@@H:48]([CH2:45][O:94][C@H:71]1[C@H:64]([OH:92])[C@@H:62]([OH:90])[C@H:67]([O:100][C@H:73]2[C@H:65]([OH:93])[C@@H:68]([O:102][C@H:70]3[C@H:55]([N:75]=[C:47]([CH3:4])[OH:81])[C@@H:59]([OH:87])[C@H:66]([O:101][C@H:74]4[C@H:69]([O:103][C@@H:72]5[C@@H:63]([OH:91])[C@H:60]([OH:88])[C@H:56]([OH:84])[C@@H:46]([CH3:3])[O:95]5)[C@@H:61]([OH:89])[C@@H:57]([OH:85])[C@@H:50]([CH2:41][OH:77])[O:97]4)[C@@H:52]([CH2:43][OH:79])[O:98]3)[C@@H:58]([OH:86])[C@@H:51]([CH2:42][OH:78])[O:96]2)[C@@H:53]([CH2:44][OH:80])[O:99]1)[C@@H:49](/[CH:39]=[CH:37]/[CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:82])[OH:83] |
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