| Properties | Image |
|---|
| MNX_ID | MNXM68485 |
 |
| reference | lipidmapsM:LMSL03001265 |
| formula | C142H268O18 |
| global charge | 0 |
| mol weight | 2263.688 |
| InChIKey | YTESQDQNXDQESP-UWGZMQOSSA-N |
| InChI | InChI=1S/C142H268O18/c1-18-23-28-33-38-43-48-53-58-62-64-69-71-76-81-86-91-96-101-114(6)106-118(10)110-122(14)137(149)157-133-126(112-143)154-141(135(132(133)148)159-138(150)123(15)111-119(11)107-115(7)102-97-92-87-82-77-72-70-65-63-59-54-49-44-39-34-29-24-19-2)160-142-136(156-128(144)105-100-95-90-85-80-75-66-57-52-47-42-37-32-27-22-5)134(158-140(152)125(17)130(146)121(13)109-117(9)104-99-94-89-84-79-74-68-61-56-51-46-41-36-31-26-21-4)131(147)127(155-142)113-153-139(151)124(16)129(145)120(12)108-116(8)103-98-93-88-83-78-73-67-60-55-50-45-40-35-30-25-20-3/h110-111,114-121,124-127,129-136,141-143,145-148H,18-109,112-113H2,1-17H3/b122-110+,123-111+/t114-,115-,116-,117-,118-,119-,120-,121-,124+,125+,126+,127+,129+,130+,131+,132-,133+,134-,135+,136+,141+,142+/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCCC[C@H](C)C[C@H](C)/C=C(\C)C(=O)O[C@H]1[C@@H](O[C@H]2O[C@H](COC(=O)[C@H](C)[C@H](O)[C@@H](C)C[C@@H](C)CCCCCCCCCCCCCCCCCC)[C@@H](O)[C@H](OC(=O)[C@H](C)[C@H](O)[C@@H](C)C[C@@H](C)CCCCCCCCCCCCCCCCCC)[C@H]2OC(=O)CCCCCCCCCCCCCCCCC)O[C@H](CO)[C@@H](OC(=O)/C(C)=C/[C@@H](C)C[C@@H](C)CCCCCCCCCCCCCCCCCCCC)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C142H268O18/c1-18-23-28-33-38-43-48-53-58-62-64-69-71-76-81-86-91-96-101-114(6)106-118(10)110-122(14)137(149)157-133-126(112-143)154-141(135(132(133)148)159-138(150)123(15)111-119(11)107-115(7)102-97-92-87-82-77-72-70-65-63-59-54-49-44-39-34-29-24-19-2)160-142-136(156-128(144)105-100-95-90-85-80-75-66-57-52-47-42-37-32-27-22-5)134(158-140(152)125(17)130(146)121(13)109-117(9)104-99-94-89-84-79-74-68-61-56-51-46-41-36-31-26-21-4)131(147)127(155-142)113-153-139(151)124(16)129(145)120(12)108-116(8)103-98-93-88-83-78-73-67-60-55-50-45-40-35-30-25-20-3/h110-111,114-121,124-127,129-136,141-143,145-148H,18-109,112-113H2,1-17H3/b122-110+,123-111+/t114-,115-,116-,117-,118-,119-,120-,121-,124+,125+,126+,127+,129+,130+,131+,132-,133+,134-,135+,136+,141+,142+/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][CH2:64][CH2:69][CH2:71][CH2:76][CH2:81][CH2:86][CH2:91][CH2:96][CH2:101][C@H:114]([CH3:6])[CH2:106][C@H:118]([CH3:10])/[CH:110]=[C:122](\[CH3:14])[C:137](=[O:149])[O:157][C@@H:133]1[C@@H:126]([CH2:112][OH:143])[O:154][C@H:141]([O:160][C@@H:142]2[C@H:136]([O:156][C:128]([CH2:105][CH2:100][CH2:95][CH2:90][CH2:85][CH2:80][CH2:75][CH2:66][CH2:57][CH2:52][CH2:47][CH2:42][CH2:37][CH2:32][CH2:27][CH2:22][CH3:5])=[O:144])[C@@H:134]([O:158][C:140]([C@H:125]([CH3:17])[C@@H:130]([C@@H:121]([CH3:13])[CH2:109][C@@H:117]([CH3:9])[CH2:104][CH2:99][CH2:94][CH2:89][CH2:84][CH2:79][CH2:74][CH2:68][CH2:61][CH2:56][CH2:51][CH2:46][CH2:41][CH2:36][CH2:31][CH2:26][CH2:21][CH3:4])[OH:146])=[O:152])[C@H:131]([OH:147])[C@@H:127]([CH2:113][O:153][C:139]([C@H:124]([CH3:16])[C@@H:129]([C@@H:120]([CH3:12])[CH2:108][C@@H:116]([CH3:8])[CH2:103][CH2:98][CH2:93][CH2:88][CH2:83][CH2:78][CH2:73][CH2:67][CH2:60][CH2:55][CH2:50][CH2:45][CH2:40][CH2:35][CH2:30][CH2:25][CH2:20][CH3:3])[OH:145])=[O:151])[O:155]2)[C@H:135]([O:159][C:138](/[C:123]([CH3:15])=[CH:111]/[C@@H:119]([CH3:11])[CH2:107][C@@H:115]([CH3:7])[CH2:102][CH2:97][CH2:92][CH2:87][CH2:82][CH2:77][CH2:72][CH2:70][CH2:65][CH2:63][CH2:59][CH2:54][CH2:49][CH2:44][CH2:39][CH2:34][CH2:29][CH2:24][CH2:19][CH3:2])=[O:150])[C@H:132]1[OH:148] |
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