| Properties | Image |
|---|
| MNX_ID | MNXM23516 |
 |
| reference | lipidmapsM:LMSP0508AA01 |
| formula | C54H100N2O18 |
| global charge | 0 |
| mol weight | 1065.39 |
| InChIKey | FYUKXZXCRJNQJV-HSYQHGJXSA-N |
| InChI | InChI=1S/C54H100N2O18/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-38(61)37(56-42(62)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)35-69-53-48(67)46(65)51(40(33-58)71-53)74-54-49(68)47(66)50(41(34-59)72-54)73-52-43(55-36(3)60)45(64)44(63)39(32-57)70-52/h28,30,37-41,43-54,57-59,61,63-68H,4-27,29,31-35H2,1-3H3,(H,55,60)(H,56,62)/b30-28+/t37-,38+,39+,40+,41+,43+,44+,45+,46+,47+,48+,49-,50+,51+,52-,53+,54-/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]3NC(C)=O)[C@H](O)[C@@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H100N2O18/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-38(61)37(56-42(62)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)35-69-53-48(67)46(65)51(40(33-58)71-53)74-54-49(68)47(66)50(41(34-59)72-54)73-52-43(55-36(3)60)45(64)44(63)39(32-57)70-52/h28,30,37-41,43-54,57-59,61,63-68H,4-27,29,31-35H2,1-3H3,(H,55,60)(H,56,62)/b30-28+/t37-,38+,39+,40+,41+,43+,44+,45+,46+,47+,48+,49-,50+,51+,52-,53+,54-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22][CH2:24][CH2:26]/[CH:28]=[CH:30]/[C@H:38]([C@H:37]([CH2:35][O:69][C@H:53]1[C@H:48]([OH:67])[C@@H:46]([OH:65])[C@H:51]([O:74][C@H:54]2[C@@H:49]([OH:68])[C@@H:47]([OH:66])[C@H:50]([O:73][C@H:52]3[C@H:43]([N:55]=[C:36]([CH3:3])[OH:60])[C@@H:45]([OH:64])[C@H:44]([OH:63])[C@@H:39]([CH2:32][OH:57])[O:70]3)[C@@H:41]([CH2:34][OH:59])[O:72]2)[C@@H:40]([CH2:33][OH:58])[O:71]1)[N:56]=[C:42]([CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:62])[OH:61] |
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