| Properties | Image |
|---|
| MNX_ID | MNXM68227 |
 |
| reference | lipidmapsM:LMSL03000511 |
| formula | C139H262O18 |
| global charge | 0 |
| mol weight | 2221.607 |
| InChIKey | DJNBEHHOBKEGDC-KWSNNVCHSA-N |
| InChI | InChI=1S/C139H262O18/c1-18-23-28-33-38-43-48-53-57-61-63-67-70-74-79-83-88-93-98-111(6)103-115(10)107-119(14)134(146)155-131-128(144)124(110-150-136(148)121(16)126(142)117(12)105-113(8)100-95-90-85-80-75-71-64-59-55-50-45-40-35-30-25-20-3)152-139(133(131)153-125(141)102-97-92-87-82-77-68-52-47-42-37-32-27-22-5)157-138-132(156-135(147)120(15)108-116(11)104-112(7)99-94-89-84-78-73-69-66-62-58-54-49-44-39-34-29-24-19-2)129(145)130(123(109-140)151-138)154-137(149)122(17)127(143)118(13)106-114(9)101-96-91-86-81-76-72-65-60-56-51-46-41-36-31-26-21-4/h107-108,111-118,121-124,126-133,138-140,142-145H,18-106,109-110H2,1-17H3/b119-107+,120-108+/t111-,112-,113-,114-,115-,116-,117-,118-,121+,122+,123+,124+,126+,127+,128+,129-,130+,131-,132+,133+,138+,139+/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](COC(=O)[C@H](C)[C@H](O)[C@@H](C)C[C@@H](C)CCCCCCCCCCCCCCCCCC)O[C@H](O[C@H]2O[C@H](CO)[C@@H](OC(=O)[C@H](C)[C@H](O)[C@@H](C)C[C@@H](C)CCCCCCCCCCCCCCCCCC)[C@H](O)[C@H]2OC(=O)/C(C)=C/[C@@H](C)C[C@@H](C)CCCCCCCCCCCCCCCCCCC)[C@@H]1OC(=O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C139H262O18/c1-18-23-28-33-38-43-48-53-57-61-63-67-70-74-79-83-88-93-98-111(6)103-115(10)107-119(14)134(146)155-131-128(144)124(110-150-136(148)121(16)126(142)117(12)105-113(8)100-95-90-85-80-75-71-64-59-55-50-45-40-35-30-25-20-3)152-139(133(131)153-125(141)102-97-92-87-82-77-68-52-47-42-37-32-27-22-5)157-138-132(156-135(147)120(15)108-116(11)104-112(7)99-94-89-84-78-73-69-66-62-58-54-49-44-39-34-29-24-19-2)129(145)130(123(109-140)151-138)154-137(149)122(17)127(143)118(13)106-114(9)101-96-91-86-81-76-72-65-60-56-51-46-41-36-31-26-21-4/h107-108,111-118,121-124,126-133,138-140,142-145H,18-106,109-110H2,1-17H3/b119-107+,120-108+/t111-,112-,113-,114-,115-,116-,117-,118-,121+,122+,123+,124+,126+,127+,128+,129-,130+,131-,132+,133+,138+,139+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:18][CH2:23][CH2:28][CH2:33][CH2:38][CH2:43][CH2:48][CH2:53][CH2:57][CH2:61][CH2:63][CH2:67][CH2:70][CH2:74][CH2:79][CH2:83][CH2:88][CH2:93][CH2:98][C@H:111]([CH3:6])[CH2:103][C@H:115]([CH3:10])/[CH:107]=[C:119](\[CH3:14])[C:134](=[O:146])[O:155][C@H:131]1[C@H:128]([OH:144])[C@@H:124]([CH2:110][O:150][C:136]([C@H:121]([CH3:16])[C@@H:126]([C@@H:117]([CH3:12])[CH2:105][C@@H:113]([CH3:8])[CH2:100][CH2:95][CH2:90][CH2:85][CH2:80][CH2:75][CH2:71][CH2:64][CH2:59][CH2:55][CH2:50][CH2:45][CH2:40][CH2:35][CH2:30][CH2:25][CH2:20][CH3:3])[OH:142])=[O:148])[O:152][C@H:139]([O:157][C@@H:138]2[C@H:132]([O:156][C:135](/[C:120]([CH3:15])=[CH:108]/[C@@H:116]([CH3:11])[CH2:104][C@@H:112]([CH3:7])[CH2:99][CH2:94][CH2:89][CH2:84][CH2:78][CH2:73][CH2:69][CH2:66][CH2:62][CH2:58][CH2:54][CH2:49][CH2:44][CH2:39][CH2:34][CH2:29][CH2:24][CH2:19][CH3:2])=[O:147])[C@@H:129]([OH:145])[C@H:130]([O:154][C:137]([C@H:122]([CH3:17])[C@@H:127]([C@@H:118]([CH3:13])[CH2:106][C@@H:114]([CH3:9])[CH2:101][CH2:96][CH2:91][CH2:86][CH2:81][CH2:76][CH2:72][CH2:65][CH2:60][CH2:56][CH2:51][CH2:46][CH2:41][CH2:36][CH2:31][CH2:26][CH2:21][CH3:4])[OH:143])=[O:149])[C@@H:123]([CH2:109][OH:140])[O:151]2)[C@@H:133]1[O:153][C:125]([CH2:102][CH2:97][CH2:92][CH2:87][CH2:82][CH2:77][CH2:68][CH2:52][CH2:47][CH2:42][CH2:37][CH2:32][CH2:27][CH2:22][CH3:5])=[O:141] |
|