| Properties | Image |
|---|
| MNX_ID | MNXM68919 |
 |
| reference | lipidmapsM:LMSL03001113 |
| formula | C143H268O17 |
| global charge | 0 |
| mol weight | 2259.7 |
| InChIKey | RFCTVROFGXARAP-HKEAHVGHSA-N |
| InChI | InChI=1S/C143H268O17/c1-18-23-28-33-38-43-48-53-58-62-65-70-73-78-82-87-92-97-102-116(6)107-120(10)111-124(14)138(149)153-115-129-132(147)135(158-140(151)126(16)113-122(12)109-118(8)104-99-94-89-84-79-74-71-66-63-59-54-49-44-39-34-29-24-19-2)137(156-130(145)106-101-96-91-86-81-76-67-57-52-47-42-37-32-27-22-5)143(155-129)160-142-136(159-141(152)127(17)131(146)123(13)110-119(9)105-100-95-90-85-80-75-68-61-56-51-46-41-36-31-26-21-4)133(148)134(128(114-144)154-142)157-139(150)125(15)112-121(11)108-117(7)103-98-93-88-83-77-72-69-64-60-55-50-45-40-35-30-25-20-3/h111-113,116-123,127-129,131-137,142-144,146-148H,18-110,114-115H2,1-17H3/b124-111+,125-112+,126-113+/t116-,117-,118-,119-,120-,121-,122-,123-,127+,128+,129+,131+,132+,133-,134+,135-,136+,137+,142+,143+/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCCC[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)CCCCCCCCCCCCCCCCCCC)[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)CCCCCCCCCCCCCCCCC)[C@@H](OC(=O)/C(C)=C/[C@@H](C)C[C@@H](C)CCCCCCCCCCCCCCCCCCCC)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C143H268O17/c1-18-23-28-33-38-43-48-53-58-62-65-70-73-78-82-87-92-97-102-116(6)107-120(10)111-124(14)138(149)153-115-129-132(147)135(158-140(151)126(16)113-122(12)109-118(8)104-99-94-89-84-79-74-71-66-63-59-54-49-44-39-34-29-24-19-2)137(156-130(145)106-101-96-91-86-81-76-67-57-52-47-42-37-32-27-22-5)143(155-129)160-142-136(159-141(152)127(17)131(146)123(13)110-119(9)105-100-95-90-85-80-75-68-61-56-51-46-41-36-31-26-21-4)133(148)134(128(114-144)154-142)157-139(150)125(15)112-121(11)108-117(7)103-98-93-88-83-77-72-69-64-60-55-50-45-40-35-30-25-20-3/h111-113,116-123,127-129,131-137,142-144,146-148H,18-110,114-115H2,1-17H3/b124-111+,125-112+,126-113+/t116-,117-,118-,119-,120-,121-,122-,123-,127+,128+,129+,131+,132+,133-,134+,135-,136+,137+,142+,143+/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][CH2:65][CH2:70][CH2:73][CH2:78][CH2:82][CH2:87][CH2:92][CH2:97][CH2:102][C@H:116]([CH3:6])[CH2:107][C@H:120]([CH3:10])/[CH:111]=[C:124](\[CH3:14])[C:138](=[O:149])[O:153][CH2:115][C@@H:129]1[C@@H:132]([OH:147])[C@H:135]([O:158][C:140](/[C:126]([CH3:16])=[CH:113]/[C@@H:122]([CH3:12])[CH2:109][C@@H:118]([CH3:8])[CH2:104][CH2:99][CH2:94][CH2:89][CH2:84][CH2:79][CH2:74][CH2:71][CH2:66][CH2:63][CH2:59][CH2:54][CH2:49][CH2:44][CH2:39][CH2:34][CH2:29][CH2:24][CH2:19][CH3:2])=[O:151])[C@@H:137]([O:156][C:130]([CH2:106][CH2:101][CH2:96][CH2:91][CH2:86][CH2:81][CH2:76][CH2:67][CH2:57][CH2:52][CH2:47][CH2:42][CH2:37][CH2:32][CH2:27][CH2:22][CH3:5])=[O:145])[C@@H:143]([O:160][C@@H:142]2[C@H:136]([O:159][C:141]([C@H:127]([CH3:17])[C@@H:131]([C@@H:123]([CH3:13])[CH2:110][C@@H:119]([CH3:9])[CH2:105][CH2:100][CH2:95][CH2:90][CH2:85][CH2:80][CH2:75][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:133]([OH:148])[C@H:134]([O:157][C:139](/[C:125]([CH3:15])=[CH:112]/[C@@H:121]([CH3:11])[CH2:108][C@@H:117]([CH3:7])[CH2:103][CH2:98][CH2:93][CH2:88][CH2:83][CH2:77][CH2:72][CH2:69][CH2:64][CH2:60][CH2:55][CH2:50][CH2:45][CH2:40][CH2:35][CH2:30][CH2:25][CH2:20][CH3:3])=[O:150])[C@@H:128]([CH2:114][OH:144])[O:154]2)[O:155]1 |
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