| Properties | Image |
|---|
| MNX_ID | MNXM29781 |
 |
| reference | lipidmapsM:LMSP0502BH03 |
| formula | C78H141N3O32 |
| global charge | 0 |
| mol weight | 1632.975 |
| InChIKey | FPOSHAMOSYJXCV-SSTGQRGNSA-N |
| InChI | InChI=1S/C78H141N3O32/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-54(89)81-47(48(88)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2)42-102-76-65(98)63(96)68(51(40-84)107-76)111-77-66(99)64(97)69(52(41-85)108-77)112-78-67(100)71(60(93)50(39-83)106-78)113-75-55(79-45(4)86)61(94)58(91)53(109-75)43-103-74-56(80-46(5)87)70(59(92)49(38-82)105-74)110-72-62(95)57(90)44(3)104-73(72)101/h34,36,44,47-53,55-78,82-85,88,90-101H,6-33,35,37-43H2,1-5H3,(H,79,86)(H,80,87)(H,81,89)/b36-34+/t44-,47-,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+,75-,76+,77-,78+/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)CCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C78H141N3O32/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-54(89)81-47(48(88)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2)42-102-76-65(98)63(96)68(51(40-84)107-76)111-77-66(99)64(97)69(52(41-85)108-77)112-78-67(100)71(60(93)50(39-83)106-78)113-75-55(79-45(4)86)61(94)58(91)53(109-75)43-103-74-56(80-46(5)87)70(59(92)49(38-82)105-74)110-72-62(95)57(90)44(3)104-73(72)101/h34,36,44,47-53,55-78,82-85,88,90-101H,6-33,35,37-43H2,1-5H3,(H,79,86)(H,80,87)(H,81,89)/b36-34+/t44-,47-,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+,75-,76+,77-,78+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:21][CH2:22][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C:54](=[N:81][C@@H:47]([CH2:42][O:102][C@H:76]1[C@H:65]([OH:98])[C@@H:63]([OH:96])[C@H:68]([O:111][C@H:77]2[C@H:66]([OH:99])[C@@H:64]([OH:97])[C@@H:69]([O:112][C@@H:78]3[C@H:67]([OH:100])[C@@H:71]([O:113][C@H:75]4[C@H:55]([N:79]=[C:45]([CH3:4])[OH:86])[C@@H:61]([OH:94])[C@@H:58]([OH:91])[C@@H:53]([CH2:43][O:103][C@H:74]5[C@H:56]([N:80]=[C:46]([CH3:5])[OH:87])[C@@H:70]([O:110][C@H:72]6[C@H:62]([OH:95])[C@H:57]([OH:90])[C@H:44]([CH3:3])[O:104][C@H:73]6[OH:101])[C@H:59]([OH:92])[C@@H:49]([CH2:38][OH:82])[O:105]5)[O:109]4)[C@@H:60]([OH:93])[C@@H:50]([CH2:39][OH:83])[O:106]3)[C@@H:52]([CH2:41][OH:85])[O:108]2)[C@@H:51]([CH2:40][OH:84])[O:107]1)[C@@H:48](/[CH:36]=[CH:34]/[CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])[OH:88])[OH:89] |
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