| Properties | Image |
|---|
| MNX_ID | MNXM22934 |
 |
| reference | lipidmapsM:LMSP0601FV07 |
| formula | C119H207N5O59 |
| global charge | 0 |
| mol weight | 2651.941 |
| InChIKey | LEINXYGSCZGTEY-LWRVTXMPSA-N |
| InChI | InChI=1S/C119H207N5O59/c1-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-74(141)124-62(63(138)43-41-39-37-35-33-31-22-20-18-16-14-12-10-2)55-162-111-92(155)89(152)98(71(52-131)172-111)174-115-94(157)106(84(147)67(48-127)166-115)181-109-77(122-60(7)136)102(177-112-90(153)87(150)79(142)56(3)163-112)99(72(53-132)170-109)175-116-95(158)104(82(145)68(49-128)167-116)179-108-76(121-59(6)135)86(149)97(70(51-130)169-108)173-114-93(156)105(83(146)66(47-126)165-114)180-110-78(123-61(8)137)103(178-113-91(154)88(151)80(143)57(4)164-113)100(73(54-133)171-110)176-117-96(159)107(85(148)69(50-129)168-117)183-119(118(160)161)45-64(139)75(120-58(5)134)101(182-119)81(144)65(140)46-125/h23-24,41,43,56-57,62-73,75-117,125-133,138-140,142-159H,9-22,25-40,42,44-55H2,1-8H3,(H,120,134)(H,121,135)(H,122,136)(H,123,137)(H,124,141)(H,160,161)/b24-23-,43-41+/t56-,57-,62+,63-,64+,65-,66-,67-,68-,69-,70-,71-,72-,73-,75-,76-,77-,78-,79-,80-,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+,119+/m1/s1 |
| SMILES | CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)N[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](O)[C@H](O[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]8O[C@H](CO)[C@H](O)[C@H](O[C@]9(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O9)[C@H]8O)[C@H](O[C@H]8O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]8O)[C@H]7NC(C)=O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O[C@H]4O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C119H207N5O59/c1-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-74(141)124-62(63(138)43-41-39-37-35-33-31-22-20-18-16-14-12-10-2)55-162-111-92(155)89(152)98(71(52-131)172-111)174-115-94(157)106(84(147)67(48-127)166-115)181-109-77(122-60(7)136)102(177-112-90(153)87(150)79(142)56(3)163-112)99(72(53-132)170-109)175-116-95(158)104(82(145)68(49-128)167-116)179-108-76(121-59(6)135)86(149)97(70(51-130)169-108)173-114-93(156)105(83(146)66(47-126)165-114)180-110-78(123-61(8)137)103(178-113-91(154)88(151)80(143)57(4)164-113)100(73(54-133)171-110)176-117-96(159)107(85(148)69(50-129)168-117)183-119(118(160)161)45-64(139)75(120-58(5)134)101(182-119)81(144)65(140)46-125/h23-24,41,43,56-57,62-73,75-117,125-133,138-140,142-159H,9-22,25-40,42,44-55H2,1-8H3,(H,120,134)(H,121,135)(H,122,136)(H,123,137)(H,124,141)(H,160,161)/b24-23-,43-41+/t56-,57-,62+,63-,64+,65-,66-,67-,68-,69-,70-,71-,72-,73-,75-,76-,77-,78-,79-,80-,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+,119+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21]/[CH:23]=[CH:24]\[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][C:74](=[N:124][C@@H:62]([CH2:55][O:162][C@H:111]1[C@H:92]([OH:155])[C@@H:89]([OH:152])[C@H:98]([O:174][C@H:115]2[C@H:94]([OH:157])[C@@H:106]([O:181][C@H:109]3[C@H:77]([N:122]=[C:60]([CH3:7])[OH:136])[C@@H:102]([O:177][C@@H:112]4[C@@H:90]([OH:153])[C@H:87]([OH:150])[C@H:79]([OH:142])[C@@H:56]([CH3:3])[O:163]4)[C@H:99]([O:175][C@H:116]4[C@H:95]([OH:158])[C@@H:104]([O:179][C@H:108]5[C@H:76]([N:121]=[C:59]([CH3:6])[OH:135])[C@@H:86]([OH:149])[C@H:97]([O:173][C@H:114]6[C@H:93]([OH:156])[C@@H:105]([O:180][C@H:110]7[C@H:78]([N:123]=[C:61]([CH3:8])[OH:137])[C@@H:103]([O:178][C@@H:113]8[C@@H:91]([OH:154])[C@H:88]([OH:151])[C@H:80]([OH:143])[C@@H:57]([CH3:4])[O:164]8)[C@H:100]([O:176][C@H:117]8[C@H:96]([OH:159])[C@@H:107]([O:183][C@:119]9([C:118](=[O:160])[OH:161])[CH2:45][C@H:64]([OH:139])[C@@H:75]([N:120]=[C:58]([CH3:5])[OH:134])[C@H:101]([C@@H:81]([C@@H:65]([CH2:46][OH:125])[OH:140])[OH:144])[O:182]9)[C@@H:85]([OH:148])[C@@H:69]([CH2:50][OH:129])[O:168]8)[C@@H:73]([CH2:54][OH:133])[O:171]7)[C@@H:83]([OH:146])[C@@H:66]([CH2:47][OH:126])[O:165]6)[C@@H:70]([CH2:51][OH:130])[O:169]5)[C@@H:82]([OH:145])[C@@H:68]([CH2:49][OH:128])[O:167]4)[C@@H:72]([CH2:53][OH:132])[O:170]3)[C@@H:84]([OH:147])[C@@H:67]([CH2:48][OH:127])[O:166]2)[C@@H:71]([CH2:52][OH:131])[O:172]1)[C@@H:63](/[CH:43]=[CH:41]/[CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH3:2])[OH:138])[OH:141] |
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