| Properties | Image |
|---|
| MNX_ID | MNXM23040 |
 |
| reference | lipidmapsM:LMSP0505BU04 |
| formula | C140H244N6O78 |
| global charge | 0 |
| mol weight | 3259.456 |
| InChIKey | DHRHBNOKFZQFRF-AVDLHKOPSA-N |
| InChI | InChI=1S/C140H244N6O78/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-41-80(166)146-63(64(165)40-38-36-34-32-30-28-21-19-17-15-13-11-9-2)55-195-131-107(188)103(184)119(77(54-159)210-131)218-138-108(189)120(89(170)68(45-150)204-138)219-128-83(143-60(5)162)98(179)117(75(52-157)207-128)216-139-113(194)125(94(175)79(211-139)57-197-127-82(142-59(4)161)96(177)115(73(50-155)206-127)214-136-110(191)122(91(172)70(47-152)202-136)223-133-105(186)101(182)87(168)66(43-148)199-133)221-130-85(145-62(7)164)99(180)118(76(53-158)209-130)217-140-112(193)124(220-129-84(144-61(6)163)97(178)116(74(51-156)208-129)215-137-111(192)123(92(173)71(48-153)203-137)224-134-106(187)102(183)88(169)67(44-149)200-134)93(174)78(212-140)56-196-126-81(141-58(3)160)95(176)114(72(49-154)205-126)213-135-109(190)121(90(171)69(46-151)201-135)222-132-104(185)100(181)86(167)65(42-147)198-132/h38,40,63-79,81-140,147-159,165,167-194H,8-37,39,41-57H2,1-7H3,(H,141,160)(H,142,161)(H,143,162)(H,144,163)(H,145,164)(H,146,166)/b40-38+/t63-,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,81+,82+,83+,84+,85+,86-,87-,88-,89-,90-,91-,92-,93-,94-,95+,96+,97+,98+,99+,100-,101-,102-,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115+,116+,117+,118+,119+,120-,121-,122-,123-,124-,125-,126+,127+,128-,129-,130-,131+,132+,133+,134+,135-,136-,137-,138-,139-,140-/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](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O[C@H]9O[C@H](CO)[C@H](O)[C@H](O)[C@H]9O)[C@H]8O)[C@H](O)[C@H]7NC(C)=O)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O[C@H]9O[C@H](CO)[C@H](O)[C@H](O)[C@H]9O)[C@H]8O)[C@H](O)[C@H]7NC(C)=O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C140H244N6O78/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-41-80(166)146-63(64(165)40-38-36-34-32-30-28-21-19-17-15-13-11-9-2)55-195-131-107(188)103(184)119(77(54-159)210-131)218-138-108(189)120(89(170)68(45-150)204-138)219-128-83(143-60(5)162)98(179)117(75(52-157)207-128)216-139-113(194)125(94(175)79(211-139)57-197-127-82(142-59(4)161)96(177)115(73(50-155)206-127)214-136-110(191)122(91(172)70(47-152)202-136)223-133-105(186)101(182)87(168)66(43-148)199-133)221-130-85(145-62(7)164)99(180)118(76(53-158)209-130)217-140-112(193)124(220-129-84(144-61(6)163)97(178)116(74(51-156)208-129)215-137-111(192)123(92(173)71(48-153)203-137)224-134-106(187)102(183)88(169)67(44-149)200-134)93(174)78(212-140)56-196-126-81(141-58(3)160)95(176)114(72(49-154)205-126)213-135-109(190)121(90(171)69(46-151)201-135)222-132-104(185)100(181)86(167)65(42-147)198-132/h38,40,63-79,81-140,147-159,165,167-194H,8-37,39,41-57H2,1-7H3,(H,141,160)(H,142,161)(H,143,162)(H,144,163)(H,145,164)(H,146,166)/b40-38+/t63-,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,81+,82+,83+,84+,85+,86-,87-,88-,89-,90-,91-,92-,93-,94-,95+,96+,97+,98+,99+,100-,101-,102-,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115+,116+,117+,118+,119+,120-,121-,122-,123-,124-,125-,126+,127+,128-,129-,130-,131+,132+,133+,134+,135-,136-,137-,138-,139-,140-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][C:80](=[N:146][C@@H:63]([CH2:55][O:195][C@H:131]1[C@H:107]([OH:188])[C@@H:103]([OH:184])[C@H:119]([O:218][C@H:138]2[C@H:108]([OH:189])[C@@H:120]([O:219][C@H:128]3[C@H:83]([N:143]=[C:60]([CH3:5])[OH:162])[C@@H:98]([OH:179])[C@H:117]([O:216][C@H:139]4[C@H:113]([OH:194])[C@@H:125]([O:221][C@H:130]5[C@H:85]([N:145]=[C:62]([CH3:7])[OH:164])[C@@H:99]([OH:180])[C@H:118]([O:217][C@H:140]6[C@H:112]([OH:193])[C@@H:124]([O:220][C@H:129]7[C@H:84]([N:144]=[C:61]([CH3:6])[OH:163])[C@@H:97]([OH:178])[C@H:116]([O:215][C@H:137]8[C@H:111]([OH:192])[C@@H:123]([O:224][C@@H:134]9[C@H:106]([OH:187])[C@@H:102]([OH:183])[C@@H:88]([OH:169])[C@@H:67]([CH2:44][OH:149])[O:200]9)[C@@H:92]([OH:173])[C@@H:71]([CH2:48][OH:153])[O:203]8)[C@@H:74]([CH2:51][OH:156])[O:208]7)[C@@H:93]([OH:174])[C@@H:78]([CH2:56][O:196][C@H:126]7[C@H:81]([N:141]=[C:58]([CH3:3])[OH:160])[C@@H:95]([OH:176])[C@H:114]([O:213][C@H:135]8[C@H:109]([OH:190])[C@@H:121]([O:222][C@@H:132]9[C@H:104]([OH:185])[C@@H:100]([OH:181])[C@@H:86]([OH:167])[C@@H:65]([CH2:42][OH:147])[O:198]9)[C@@H:90]([OH:171])[C@@H:69]([CH2:46][OH:151])[O:201]8)[C@@H:72]([CH2:49][OH:154])[O:205]7)[O:212]6)[C@@H:76]([CH2:53][OH:158])[O:209]5)[C@@H:94]([OH:175])[C@@H:79]([CH2:57][O:197][C@H:127]5[C@H:82]([N:142]=[C:59]([CH3:4])[OH:161])[C@@H:96]([OH:177])[C@H:115]([O:214][C@H:136]6[C@H:110]([OH:191])[C@@H:122]([O:223][C@@H:133]7[C@H:105]([OH:186])[C@@H:101]([OH:182])[C@@H:87]([OH:168])[C@@H:66]([CH2:43][OH:148])[O:199]7)[C@@H:91]([OH:172])[C@@H:70]([CH2:47][OH:152])[O:202]6)[C@@H:73]([CH2:50][OH:155])[O:206]5)[O:211]4)[C@@H:75]([CH2:52][OH:157])[O:207]3)[C@@H:89]([OH:170])[C@@H:68]([CH2:45][OH:150])[O:204]2)[C@@H:77]([CH2:54][OH:159])[O:210]1)[C@@H:64](/[CH:40]=[CH:38]/[CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH3:2])[OH:165])[OH:166] |
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