| Properties | Image |
|---|
| MNX_ID | MNXM67766 |
 |
| reference | lipidmapsM:LMSL03000092 |
| formula | C133H248O17 |
| global charge | 0 |
| mol weight | 2119.43 |
| InChIKey | RRPWEBYXYYZHTM-JFCVDGRQSA-N |
| InChI | InChI=1S/C133H248O17/c1-18-23-28-33-38-43-48-53-57-59-61-65-69-74-77-82-87-92-106(6)97-110(10)101-114(14)128(139)143-105-119-122(137)125(148-130(141)116(16)103-112(12)99-108(8)94-89-84-79-73-68-64-56-51-46-41-36-31-26-21-4)127(146-120(135)96-91-86-81-76-71-62-52-47-42-37-32-27-22-5)133(145-119)150-132-126(149-131(142)117(17)121(136)113(13)100-109(9)95-90-85-80-75-70-66-60-58-54-49-44-39-34-29-24-19-2)123(138)124(118(104-134)144-132)147-129(140)115(15)102-111(11)98-107(7)93-88-83-78-72-67-63-55-50-45-40-35-30-25-20-3/h101-103,106-113,117-119,121-127,132-134,136-138H,18-100,104-105H2,1-17H3/b114-101+,115-102+,116-103+/t106-,107-,108-,109-,110-,111-,112-,113-,117+,118+,119+,121+,122+,123-,124+,125-,126+,127+,132+,133+/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCC[C@H](C)C[C@H](C)/C=C(\C)C(=O)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](OC(=O)/C(C)=C/[C@@H](C)C[C@@H](C)CCCCCCCCCCCCCCCC)[C@H](O)[C@H]2OC(=O)[C@H](C)[C@H](O)[C@@H](C)C[C@@H](C)CCCCCCCCCCCCCCCCCC)[C@H](OC(=O)CCCCCCCCCCCCCCC)[C@@H](OC(=O)/C(C)=C/[C@@H](C)C[C@@H](C)CCCCCCCCCCCCCCCC)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C133H248O17/c1-18-23-28-33-38-43-48-53-57-59-61-65-69-74-77-82-87-92-106(6)97-110(10)101-114(14)128(139)143-105-119-122(137)125(148-130(141)116(16)103-112(12)99-108(8)94-89-84-79-73-68-64-56-51-46-41-36-31-26-21-4)127(146-120(135)96-91-86-81-76-71-62-52-47-42-37-32-27-22-5)133(145-119)150-132-126(149-131(142)117(17)121(136)113(13)100-109(9)95-90-85-80-75-70-66-60-58-54-49-44-39-34-29-24-19-2)123(138)124(118(104-134)144-132)147-129(140)115(15)102-111(11)98-107(7)93-88-83-78-72-67-63-55-50-45-40-35-30-25-20-3/h101-103,106-113,117-119,121-127,132-134,136-138H,18-100,104-105H2,1-17H3/b114-101+,115-102+,116-103+/t106-,107-,108-,109-,110-,111-,112-,113-,117+,118+,119+,121+,122+,123-,124+,125-,126+,127+,132+,133+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:18][CH2:23][CH2:28][CH2:33][CH2:38][CH2:43][CH2:48][CH2:53][CH2:57][CH2:59][CH2:61][CH2:65][CH2:69][CH2:74][CH2:77][CH2:82][CH2:87][CH2:92][C@H:106]([CH3:6])[CH2:97][C@H:110]([CH3:10])/[CH:101]=[C:114](\[CH3:14])[C:128](=[O:139])[O:143][CH2:105][C@@H:119]1[C@@H:122]([OH:137])[C@H:125]([O:148][C:130](/[C:116]([CH3:16])=[CH:103]/[C@@H:112]([CH3:12])[CH2:99][C@@H:108]([CH3:8])[CH2:94][CH2:89][CH2:84][CH2:79][CH2:73][CH2:68][CH2:64][CH2:56][CH2:51][CH2:46][CH2:41][CH2:36][CH2:31][CH2:26][CH2:21][CH3:4])=[O:141])[C@@H:127]([O:146][C:120]([CH2:96][CH2:91][CH2:86][CH2:81][CH2:76][CH2:71][CH2:62][CH2:52][CH2:47][CH2:42][CH2:37][CH2:32][CH2:27][CH2:22][CH3:5])=[O:135])[C@@H:133]([O:150][C@@H:132]2[C@H:126]([O:149][C:131]([C@H:117]([CH3:17])[C@@H:121]([C@@H:113]([CH3:13])[CH2:100][C@@H:109]([CH3:9])[CH2:95][CH2:90][CH2:85][CH2:80][CH2:75][CH2:70][CH2:66][CH2:60][CH2:58][CH2:54][CH2:49][CH2:44][CH2:39][CH2:34][CH2:29][CH2:24][CH2:19][CH3:2])[OH:136])=[O:142])[C@@H:123]([OH:138])[C@H:124]([O:147][C:129](/[C:115]([CH3:15])=[CH:102]/[C@@H:111]([CH3:11])[CH2:98][C@@H:107]([CH3:7])[CH2:93][CH2:88][CH2:83][CH2:78][CH2:72][CH2:67][CH2:63][CH2:55][CH2:50][CH2:45][CH2:40][CH2:35][CH2:30][CH2:25][CH2:20][CH3:3])=[O:140])[C@@H:118]([CH2:104][OH:134])[O:144]2)[O:145]1 |
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