| Properties | Image |
|---|
| MNX_ID | MNXM68496 |
 |
| reference | lipidmapsM:LMSL03001177 |
| formula | C136H254O17 |
| global charge | 0 |
| mol weight | 2161.511 |
| InChIKey | CVBULKTUVKAQHH-MVFISTDMSA-N |
| InChI | InChI=1S/C136H254O17/c1-18-23-28-33-38-43-48-53-58-62-66-71-76-80-85-90-95-109(6)100-113(10)104-117(14)131(142)146-108-122-125(140)128(151-134(145)120(17)124(139)116(13)103-112(9)98-93-88-83-78-73-68-64-60-55-50-45-40-35-30-25-20-3)130(149-123(138)99-94-89-84-79-74-69-61-56-51-46-41-36-31-26-21-4)136(148-122)153-135-129(152-133(144)119(16)106-115(12)102-111(8)97-92-87-82-77-72-67-63-59-54-49-44-39-34-29-24-19-2)126(141)127(121(107-137)147-135)150-132(143)118(15)105-114(11)101-110(7)96-91-86-81-75-70-65-57-52-47-42-37-32-27-22-5/h104-106,109-116,120-122,124-130,135-137,139-141H,18-103,107-108H2,1-17H3/b117-104+,118-105+,119-106+/t109-,110-,111-,112-,113-,114-,115-,116-,120+,121+,122+,124+,125+,126-,127+,128-,129+,130+,135+,136+/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCCCC[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(C)=C/[C@@H](C)C[C@@H](C)CCCCCCCCCCCCCCCCCC)[C@H](OC(=O)CCCCCCCCCCCCCCCCC)[C@@H](OC(=O)[C@H](C)[C@H](O)[C@@H](C)C[C@@H](C)CCCCCCCCCCCCCCCCCC)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C136H254O17/c1-18-23-28-33-38-43-48-53-58-62-66-71-76-80-85-90-95-109(6)100-113(10)104-117(14)131(142)146-108-122-125(140)128(151-134(145)120(17)124(139)116(13)103-112(9)98-93-88-83-78-73-68-64-60-55-50-45-40-35-30-25-20-3)130(149-123(138)99-94-89-84-79-74-69-61-56-51-46-41-36-31-26-21-4)136(148-122)153-135-129(152-133(144)119(16)106-115(12)102-111(8)97-92-87-82-77-72-67-63-59-54-49-44-39-34-29-24-19-2)126(141)127(121(107-137)147-135)150-132(143)118(15)105-114(11)101-110(7)96-91-86-81-75-70-65-57-52-47-42-37-32-27-22-5/h104-106,109-116,120-122,124-130,135-137,139-141H,18-103,107-108H2,1-17H3/b117-104+,118-105+,119-106+/t109-,110-,111-,112-,113-,114-,115-,116-,120+,121+,122+,124+,125+,126-,127+,128-,129+,130+,135+,136+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:18][CH2:23][CH2:28][CH2:33][CH2:38][CH2:43][CH2:48][CH2:53][CH2:58][CH2:62][CH2:66][CH2:71][CH2:76][CH2:80][CH2:85][CH2:90][CH2:95][C@H:109]([CH3:6])[CH2:100][C@H:113]([CH3:10])/[CH:104]=[C:117](\[CH3:14])[C:131](=[O:142])[O:146][CH2:108][C@@H:122]1[C@@H:125]([OH:140])[C@H:128]([O:151][C:134]([C@H:120]([CH3:17])[C@@H:124]([C@@H:116]([CH3:13])[CH2:103][C@@H:112]([CH3:9])[CH2:98][CH2:93][CH2:88][CH2:83][CH2:78][CH2:73][CH2:68][CH2:64][CH2:60][CH2:55][CH2:50][CH2:45][CH2:40][CH2:35][CH2:30][CH2:25][CH2:20][CH3:3])[OH:139])=[O:145])[C@@H:130]([O:149][C:123]([CH2:99][CH2:94][CH2:89][CH2:84][CH2:79][CH2:74][CH2:69][CH2:61][CH2:56][CH2:51][CH2:46][CH2:41][CH2:36][CH2:31][CH2:26][CH2:21][CH3:4])=[O:138])[C@@H:136]([O:153][C@@H:135]2[C@H:129]([O:152][C:133](/[C:119]([CH3:16])=[CH:106]/[C@@H:115]([CH3:12])[CH2:102][C@@H:111]([CH3:8])[CH2:97][CH2:92][CH2:87][CH2:82][CH2:77][CH2:72][CH2:67][CH2:63][CH2:59][CH2:54][CH2:49][CH2:44][CH2:39][CH2:34][CH2:29][CH2:24][CH2:19][CH3:2])=[O:144])[C@@H:126]([OH:141])[C@H:127]([O:150][C:132](/[C:118]([CH3:15])=[CH:105]/[C@@H:114]([CH3:11])[CH2:101][C@@H:110]([CH3:7])[CH2:96][CH2:91][CH2:86][CH2:81][CH2:75][CH2:70][CH2:65][CH2:57][CH2:52][CH2:47][CH2:42][CH2:37][CH2:32][CH2:27][CH2:22][CH3:5])=[O:143])[C@@H:121]([CH2:107][OH:137])[O:147]2)[O:148]1 |
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