| Properties | Image |
|---|
| MNX_ID | MNXM44577 |
 |
| reference | lipidmapsM:LMSL01050001 |
| formula | C78H148N2O24P2 |
| global charge | 0 |
| mol weight | 1559.98 |
| InChIKey | DHSXJMRVJPCQHY-NTBWWRQUSA-N |
| InChI | InChI=1S/C78H148N2O24P2/c1-6-11-16-21-25-29-30-34-38-43-48-53-68(87)98-63(52-47-42-37-33-28-24-19-14-9-4)57-67(86)80-72-76(102-70(89)56-62(84)51-46-41-36-32-27-23-18-13-8-3)74(103-105(91,92)93)64(58-81)99-77(72)97-59-65-73(90)75(101-69(88)55-61(83)50-44-39-20-15-10-5)71(78(100-65)104-106(94,95)96)79-66(85)54-60(82)49-45-40-35-31-26-22-17-12-7-2/h60-65,71-78,81-84,90H,6-59H2,1-5H3,(H,79,85)(H,80,86)(H2,91,92,93)(H2,94,95,96)/t60?,61?,62?,63?,64-,65-,71-,72-,73-,74-,75-,76-,77-,78-/m1/s1 |
| SMILES | CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](OP(=O)(O)O)[C@H](NC(=O)CC(O)CCCCCCCCCCC)[C@@H](OC(=O)CC(O)CCCCCCC)[C@@H]2O)O[C@H](CO)[C@@H](OP(=O)(O)O)[C@@H]1OC(=O)CC(O)CCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C78H148N2O24P2/c1-6-11-16-21-25-29-30-34-38-43-48-53-68(87)98-63(52-47-42-37-33-28-24-19-14-9-4)57-67(86)80-72-76(102-70(89)56-62(84)51-46-41-36-32-27-23-18-13-8-3)74(103-105(91,92)93)64(58-81)99-77(72)97-59-65-73(90)75(101-69(88)55-61(83)50-44-39-20-15-10-5)71(78(100-65)104-106(94,95)96)79-66(85)54-60(82)49-45-40-35-31-26-22-17-12-7-2/h60-65,71-78,81-84,90H,6-59H2,1-5H3,(H,79,85)(H,80,86)(H2,91,92,93)(H2,94,95,96)/t60?,61?,62?,63?,64-,65-,71-,72-,73-,74-,75-,76-,77-,78-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:6][CH2:11][CH2:16][CH2:21][CH2:25][CH2:29][CH2:30][CH2:34][CH2:38][CH2:43][CH2:48][CH2:53][C:68](=[O:87])[O:98][CH:63]([CH2:52][CH2:47][CH2:42][CH2:37][CH2:33][CH2:28][CH2:24][CH2:19][CH2:14][CH2:9][CH3:4])[CH2:57][C:67](=[N:80][C@@H:72]1[C@@H:76]([O:102][C:70]([CH2:56][CH:62]([CH2:51][CH2:46][CH2:41][CH2:36][CH2:32][CH2:27][CH2:23][CH2:18][CH2:13][CH2:8][CH3:3])[OH:84])=[O:89])[C@H:74]([O:103][P:105]([OH:91])([OH:92])=[O:93])[C@@H:64]([CH2:58][OH:81])[O:99][C@H:77]1[O:97][CH2:59][C@@H:65]1[C@@H:73]([OH:90])[C@H:75]([O:101][C:69]([CH2:55][CH:61]([CH2:50][CH2:44][CH2:39][CH2:20][CH2:15][CH2:10][CH3:5])[OH:83])=[O:88])[C@@H:71]([N:79]=[C:66]([CH2:54][CH:60]([CH2:49][CH2:45][CH2:40][CH2:35][CH2:31][CH2:26][CH2:22][CH2:17][CH2:12][CH2:7][CH3:2])[OH:82])[OH:85])[C@@H:78]([O:104][P:106]([OH:94])([OH:95])=[O:96])[O:100]1)[OH:86] |
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