| Properties | Image |
|---|
| MNX_ID | MNXM24798 |
 |
| reference | lipidmapsM:LMSP0601GP01 |
| formula | C93H163N5O46 |
| global charge | 0 |
| mol weight | 2087.316 |
| InChIKey | RSUQIOOFYOLZRY-NWQUVVNKSA-N |
| InChI | InChI=1S/C93H163N5O46/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-50(110)49(98-60(113)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)43-129-88-74(123)73(122)79(58(42-105)136-88)139-90-76(125)83(142-89-75(124)82(68(117)55(39-102)133-89)141-87-64(97-48(6)109)80(67(116)54(38-101)132-87)140-86-62(95-46(4)107)71(120)66(115)53(37-100)131-86)70(119)59(137-90)44-130-85-63(96-47(5)108)72(121)78(57(41-104)135-85)138-91-77(126)84(69(118)56(40-103)134-91)144-93(92(127)128)35-51(111)61(94-45(3)106)81(143-93)65(114)52(112)36-99/h31,33,49-59,61-91,99-105,110-112,114-126H,7-30,32,34-44H2,1-6H3,(H,94,106)(H,95,107)(H,96,108)(H,97,109)(H,98,113)(H,127,128)/b33-31+/t49-,50+,51-,52+,53+,54+,55+,56+,57+,58+,59+,61+,62+,63+,64+,65+,66-,67-,68-,69-,70-,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82-,83-,84-,85+,86+,87-,88+,89+,90-,91-,93-/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]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@]5(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H]4NC(C)=O)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C93H163N5O46/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-50(110)49(98-60(113)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)43-129-88-74(123)73(122)79(58(42-105)136-88)139-90-76(125)83(142-89-75(124)82(68(117)55(39-102)133-89)141-87-64(97-48(6)109)80(67(116)54(38-101)132-87)140-86-62(95-46(4)107)71(120)66(115)53(37-100)131-86)70(119)59(137-90)44-130-85-63(96-47(5)108)72(121)78(57(41-104)135-85)138-91-77(126)84(69(118)56(40-103)134-91)144-93(92(127)128)35-51(111)61(94-45(3)106)81(143-93)65(114)52(112)36-99/h31,33,49-59,61-91,99-105,110-112,114-126H,7-30,32,34-44H2,1-6H3,(H,94,106)(H,95,107)(H,96,108)(H,97,109)(H,98,113)(H,127,128)/b33-31+/t49-,50+,51-,52+,53+,54+,55+,56+,57+,58+,59+,61+,62+,63+,64+,65+,66-,67-,68-,69-,70-,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82-,83-,84-,85+,86+,87-,88+,89+,90-,91-,93-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29]/[CH:31]=[CH:33]/[C@H:50]([C@H:49]([CH2:43][O:129][C@H:88]1[C@H:74]([OH:123])[C@@H:73]([OH:122])[C@H:79]([O:139][C@H:90]2[C@H:76]([OH:125])[C@@H:83]([O:142][C@@H:89]3[C@H:75]([OH:124])[C@@H:82]([O:141][C@H:87]4[C@H:64]([N:97]=[C:48]([CH3:6])[OH:109])[C@@H:80]([O:140][C@@H:86]5[C@H:62]([N:95]=[C:46]([CH3:4])[OH:107])[C@@H:71]([OH:120])[C@@H:66]([OH:115])[C@@H:53]([CH2:37][OH:100])[O:131]5)[C@@H:67]([OH:116])[C@@H:54]([CH2:38][OH:101])[O:132]4)[C@@H:68]([OH:117])[C@@H:55]([CH2:39][OH:102])[O:133]3)[C@@H:70]([OH:119])[C@@H:59]([CH2:44][O:130][C@H:85]3[C@H:63]([N:96]=[C:47]([CH3:5])[OH:108])[C@@H:72]([OH:121])[C@H:78]([O:138][C@H:91]4[C@H:77]([OH:126])[C@@H:84]([O:144][C@:93]5([C:92](=[O:127])[OH:128])[CH2:35][C@H:51]([OH:111])[C@@H:61]([N:94]=[C:45]([CH3:3])[OH:106])[C@H:81]([C@@H:65]([C@@H:52]([CH2:36][OH:99])[OH:112])[OH:114])[O:143]5)[C@@H:69]([OH:118])[C@@H:56]([CH2:40][OH:103])[O:134]4)[C@@H:57]([CH2:41][OH:104])[O:135]3)[O:137]2)[C@@H:58]([CH2:42][OH:105])[O:136]1)[N:98]=[C:60]([CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH3:2])[OH:113])[OH:110] |
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