| Properties | Image |
|---|
| MNX_ID | MNXM1131717 |
 |
| reference | lipidmapsM:LMSP05000012 |
| formula | C51H97NO15 |
| global charge | 0 |
| mol weight | 964.329 |
| InChIKey | RAPLGLSHTMHONS-AZSJRVJFSA-N |
| InChI | InChI=1S/C51H97NO15/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-26-29-32-39(55)49(63)52-37(42(56)38(54)31-28-25-22-20-17-18-21-24-27-30-36(2)3)34-64-50-48(62)46(60)44(58)41(67-50)35-65-51-47(61)45(59)43(57)40(33-53)66-51/h28,31,36-48,50-51,53-62H,4-27,29-30,32-35H2,1-3H3,(H,52,63)/b31-28+/t37-,38+,39+,40+,41+,42-,43-,44+,45-,46-,47+,48+,50+,51-/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)/C=C/CCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C51H97NO15/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-26-29-32-39(55)49(63)52-37(42(56)38(54)31-28-25-22-20-17-18-21-24-27-30-36(2)3)34-64-50-48(62)46(60)44(58)41(67-50)35-65-51-47(61)45(59)43(57)40(33-53)66-51/h28,31,36-48,50-51,53-62H,4-27,29-30,32-35H2,1-3H3,(H,52,63)/b31-28+/t37-,38+,39+,40+,41+,42-,43-,44+,45-,46-,47+,48+,50+,51-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:19][CH2:23][CH2:26][CH2:29][CH2:32][C@H:39]([C:49](=[N:52][C@@H:37]([CH2:34][O:64][C@H:50]1[C@H:48]([OH:62])[C@@H:46]([OH:60])[C@H:44]([OH:58])[C@@H:41]([CH2:35][O:65][C@@H:51]2[C@H:47]([OH:61])[C@@H:45]([OH:59])[C@@H:43]([OH:57])[C@@H:40]([CH2:33][OH:53])[O:66]2)[O:67]1)[C@@H:42]([C@@H:38](/[CH:31]=[CH:28]/[CH2:25][CH2:22][CH2:20][CH2:17][CH2:18][CH2:21][CH2:24][CH2:27][CH2:30][CH:36]([CH3:2])[CH3:3])[OH:54])[OH:56])[OH:63])[OH:55] |
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