| Properties | Image |
|---|
| MNX_ID | MNXM68312 |
 |
| reference | lipidmapsM:LMSL03000651 |
| formula | C132H246O17 |
| global charge | 0 |
| mol weight | 2105.403 |
| InChIKey | WGFRZSFVGHHCGY-CSUUJZKISA-N |
| InChI | InChI=1S/C132H246O17/c1-18-23-28-33-38-43-48-53-58-60-64-69-74-79-84-89-94-108(9)99-112(13)120(135)116(17)130(141)146-123-117(103-133)143-131(125(122(123)137)148-129(140)115(16)102-111(12)98-107(8)93-88-83-78-73-68-63-57-52-47-42-37-32-27-22-5)149-132-126(145-119(134)95-90-85-80-75-70-65-59-54-49-44-39-34-29-24-19-2)124(147-128(139)114(15)101-110(11)97-106(7)92-87-82-77-72-67-62-56-51-46-41-36-31-26-21-4)121(136)118(144-132)104-142-127(138)113(14)100-109(10)96-105(6)91-86-81-76-71-66-61-55-50-45-40-35-30-25-20-3/h100-102,105-112,116-118,120-126,131-133,135-137H,18-99,103-104H2,1-17H3/b113-100+,114-101+,115-102+/t105-,106-,107-,108-,109-,110-,111-,112-,116+,117+,118+,120+,121+,122-,123+,124-,125+,126+,131+,132+/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCCCC[C@H](C)C[C@H](C)[C@@H](O)[C@@H](C)C(=O)O[C@H]1[C@H](O)[C@@H](OC(=O)/C(C)=C/[C@@H](C)C[C@@H](C)CCCCCCCCCCCCCCCC)[C@@H](O[C@H]2O[C@H](COC(=O)/C(C)=C/[C@@H](C)C[C@@H](C)CCCCCCCCCCCCCCCC)[C@@H](O)[C@H](OC(=O)/C(C)=C/[C@@H](C)C[C@@H](C)CCCCCCCCCCCCCCCC)[C@H]2OC(=O)CCCCCCCCCCCCCCCCC)O[C@@H]1CO |
MNX internals
| InChI (mnx) | InChI=1/C132H246O17/c1-18-23-28-33-38-43-48-53-58-60-64-69-74-79-84-89-94-108(9)99-112(13)120(135)116(17)130(141)146-123-117(103-133)143-131(125(122(123)137)148-129(140)115(16)102-111(12)98-107(8)93-88-83-78-73-68-63-57-52-47-42-37-32-27-22-5)149-132-126(145-119(134)95-90-85-80-75-70-65-59-54-49-44-39-34-29-24-19-2)124(147-128(139)114(15)101-110(11)97-106(7)92-87-82-77-72-67-62-56-51-46-41-36-31-26-21-4)121(136)118(144-132)104-142-127(138)113(14)100-109(10)96-105(6)91-86-81-76-71-66-61-55-50-45-40-35-30-25-20-3/h100-102,105-112,116-118,120-126,131-133,135-137H,18-99,103-104H2,1-17H3/b113-100+,114-101+,115-102+/t105-,106-,107-,108-,109-,110-,111-,112-,116+,117+,118+,120+,121+,122-,123+,124-,125+,126+,131+,132+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:18][CH2:23][CH2:28][CH2:33][CH2:38][CH2:43][CH2:48][CH2:53][CH2:58][CH2:60][CH2:64][CH2:69][CH2:74][CH2:79][CH2:84][CH2:89][CH2:94][C@H:108]([CH3:9])[CH2:99][C@H:112]([CH3:13])[C@H:120]([C@@H:116]([CH3:17])[C:130](=[O:141])[O:146][C@@H:123]1[C@@H:117]([CH2:103][OH:133])[O:143][C@H:131]([O:149][C@@H:132]2[C@H:126]([O:145][C:119]([CH2:95][CH2:90][CH2:85][CH2:80][CH2:75][CH2:70][CH2:65][CH2:59][CH2:54][CH2:49][CH2:44][CH2:39][CH2:34][CH2:29][CH2:24][CH2:19][CH3:2])=[O:134])[C@@H:124]([O:147][C:128](/[C:114]([CH3:15])=[CH:101]/[C@@H:110]([CH3:11])[CH2:97][C@@H:106]([CH3:7])[CH2:92][CH2:87][CH2:82][CH2:77][CH2:72][CH2:67][CH2:62][CH2:56][CH2:51][CH2:46][CH2:41][CH2:36][CH2:31][CH2:26][CH2:21][CH3:4])=[O:139])[C@H:121]([OH:136])[C@@H:118]([CH2:104][O:142][C:127](/[C:113]([CH3:14])=[CH:100]/[C@@H:109]([CH3:10])[CH2:96][C@@H:105]([CH3:6])[CH2:91][CH2:86][CH2:81][CH2:76][CH2:71][CH2:66][CH2:61][CH2:55][CH2:50][CH2:45][CH2:40][CH2:35][CH2:30][CH2:25][CH2:20][CH3:3])=[O:138])[O:144]2)[C@H:125]([O:148][C:129](/[C:115]([CH3:16])=[CH:102]/[C@@H:111]([CH3:12])[CH2:98][C@@H:107]([CH3:8])[CH2:93][CH2:88][CH2:83][CH2:78][CH2:73][CH2:68][CH2:63][CH2:57][CH2:52][CH2:47][CH2:42][CH2:37][CH2:32][CH2:27][CH2:22][CH3:5])=[O:140])[C@H:122]1[OH:137])[OH:135] |
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