| Properties | Image |
|---|
| MNX_ID | MNXM27105 |
 |
| reference | lipidmapsM:LMSP0502BH02 |
| formula | C76H137N3O32 |
| global charge | 0 |
| mol weight | 1604.921 |
| InChIKey | FDVCGKNROPHSFA-YZNIVCSNSA-N |
| InChI | InChI=1S/C76H137N3O32/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-52(87)79-45(46(86)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)40-100-74-63(96)61(94)66(49(38-82)105-74)109-75-64(97)62(95)67(50(39-83)106-75)110-76-65(98)69(58(91)48(37-81)104-76)111-73-53(77-43(4)84)59(92)56(89)51(107-73)41-101-72-54(78-44(5)85)68(57(90)47(36-80)103-72)108-70-60(93)55(88)42(3)102-71(70)99/h32,34,42,45-51,53-76,80-83,86,88-99H,6-31,33,35-41H2,1-5H3,(H,77,84)(H,78,85)(H,79,87)/b34-32+/t42-,45-,46+,47+,48+,49+,50+,51+,53+,54+,55+,56-,57+,58-,59+,60+,61+,62+,63+,64+,65+,66+,67-,68+,69-,70-,71+,72+,73-,74+,75-,76+/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]5O[C@H](CO)[C@@H](O)[C@H](O[C@H]6[C@H](O)[C@H](O)[C@H](C)O[C@H]6O)[C@H]5NC(C)=O)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C76H137N3O32/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-52(87)79-45(46(86)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)40-100-74-63(96)61(94)66(49(38-82)105-74)109-75-64(97)62(95)67(50(39-83)106-75)110-76-65(98)69(58(91)48(37-81)104-76)111-73-53(77-43(4)84)59(92)56(89)51(107-73)41-101-72-54(78-44(5)85)68(57(90)47(36-80)103-72)108-70-60(93)55(88)42(3)102-71(70)99/h32,34,42,45-51,53-76,80-83,86,88-99H,6-31,33,35-41H2,1-5H3,(H,77,84)(H,78,85)(H,79,87)/b34-32+/t42-,45-,46+,47+,48+,49+,50+,51+,53+,54+,55+,56-,57+,58-,59+,60+,61+,62+,63+,64+,65+,66+,67-,68+,69-,70-,71+,72+,73-,74+,75-,76+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][C:52](=[N:79][C@@H:45]([CH2:40][O:100][C@H:74]1[C@H:63]([OH:96])[C@@H:61]([OH:94])[C@H:66]([O:109][C@H:75]2[C@H:64]([OH:97])[C@@H:62]([OH:95])[C@@H:67]([O:110][C@@H:76]3[C@H:65]([OH:98])[C@@H:69]([O:111][C@H:73]4[C@H:53]([N:77]=[C:43]([CH3:4])[OH:84])[C@@H:59]([OH:92])[C@@H:56]([OH:89])[C@@H:51]([CH2:41][O:101][C@H:72]5[C@H:54]([N:78]=[C:44]([CH3:5])[OH:85])[C@@H:68]([O:108][C@H:70]6[C@H:60]([OH:93])[C@H:55]([OH:88])[C@H:42]([CH3:3])[O:102][C@H:71]6[OH:99])[C@H:57]([OH:90])[C@@H:47]([CH2:36][OH:80])[O:103]5)[O:107]4)[C@@H:58]([OH:91])[C@@H:48]([CH2:37][OH:81])[O:104]3)[C@@H:50]([CH2:39][OH:83])[O:106]2)[C@@H:49]([CH2:38][OH:82])[O:105]1)[C@@H:46](/[CH:34]=[CH:32]/[CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])[OH:86])[OH:87] |
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