| Properties | Image |
|---|
| MNX_ID | MNXM67857 |
 |
| reference | lipidmapsM:LMSL03000641 |
| formula | C138H262O19 |
| global charge | 0 |
| mol weight | 2225.595 |
| InChIKey | AIDRKWZOOAKEKG-HZWPHJKESA-N |
| InChI | InChI=1S/C138H262O19/c1-18-23-28-33-38-43-48-53-57-61-62-66-68-72-77-82-87-92-97-109(6)102-113(10)106-117(14)133(146)156-131-128(145)129(154-135(148)119(16)125(142)115(12)104-111(8)99-94-89-84-79-74-70-64-59-55-50-45-40-35-30-25-20-3)121(107-139)151-137(131)157-138-132(153-123(140)101-96-91-86-81-76-67-52-47-42-37-32-27-22-5)130(155-136(149)120(17)126(143)116(13)105-112(9)100-95-90-85-80-75-71-65-60-56-51-46-41-36-31-26-21-4)127(144)122(152-138)108-150-134(147)118(15)124(141)114(11)103-110(7)98-93-88-83-78-73-69-63-58-54-49-44-39-34-29-24-19-2/h106,109-116,118-122,124-132,137-139,141-145H,18-105,107-108H2,1-17H3/b117-106+/t109-,110-,111-,112-,113-,114-,115-,116-,118+,119+,120+,121+,122+,124+,125+,126+,127+,128-,129+,130-,131+,132+,137+,138+/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)CCCCCCCCCCCCCCC)O[C@H](CO)[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/C138H262O19/c1-18-23-28-33-38-43-48-53-57-61-62-66-68-72-77-82-87-92-97-109(6)102-113(10)106-117(14)133(146)156-131-128(145)129(154-135(148)119(16)125(142)115(12)104-111(8)99-94-89-84-79-74-70-64-59-55-50-45-40-35-30-25-20-3)121(107-139)151-137(131)157-138-132(153-123(140)101-96-91-86-81-76-67-52-47-42-37-32-27-22-5)130(155-136(149)120(17)126(143)116(13)105-112(9)100-95-90-85-80-75-71-65-60-56-51-46-41-36-31-26-21-4)127(144)122(152-138)108-150-134(147)118(15)124(141)114(11)103-110(7)98-93-88-83-78-73-69-63-58-54-49-44-39-34-29-24-19-2/h106,109-116,118-122,124-132,137-139,141-145H,18-105,107-108H2,1-17H3/b117-106+/t109-,110-,111-,112-,113-,114-,115-,116-,118+,119+,120+,121+,122+,124+,125+,126+,127+,128-,129+,130-,131+,132+,137+,138+/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][CH2:62][CH2:66][CH2:68][CH2:72][CH2:77][CH2:82][CH2:87][CH2:92][CH2:97][C@H:109]([CH3:6])[CH2:102][C@H:113]([CH3:10])/[CH:106]=[C:117](\[CH3:14])[C:133](=[O:146])[O:156][C@@H:131]1[C@@H:128]([OH:145])[C@H:129]([O:154][C:135]([C@H:119]([CH3:16])[C@@H:125]([C@@H:115]([CH3:12])[CH2:104][C@@H:111]([CH3:8])[CH2:99][CH2:94][CH2:89][CH2:84][CH2:79][CH2:74][CH2:70][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])[C@@H:121]([CH2:107][OH:139])[O:151][C@@H:137]1[O:157][C@@H:138]1[C@H:132]([O:153][C:123]([CH2:101][CH2:96][CH2:91][CH2:86][CH2:81][CH2:76][CH2:67][CH2:52][CH2:47][CH2:42][CH2:37][CH2:32][CH2:27][CH2:22][CH3:5])=[O:140])[C@@H:130]([O:155][C:136]([C@H:120]([CH3:17])[C@@H:126]([C@@H:116]([CH3:13])[CH2:105][C@@H:112]([CH3:9])[CH2:100][CH2:95][CH2:90][CH2:85][CH2:80][CH2:75][CH2:71][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:127]([OH:144])[C@@H:122]([CH2:108][O:150][C:134]([C@H:118]([CH3:15])[C@@H:124]([C@@H:114]([CH3:11])[CH2:103][C@@H:110]([CH3:7])[CH2:98][CH2:93][CH2:88][CH2:83][CH2:78][CH2:73][CH2:69][CH2:63][CH2:58][CH2:54][CH2:49][CH2:44][CH2:39][CH2:34][CH2:29][CH2:24][CH2:19][CH3:2])[OH:141])=[O:147])[O:152]1 |
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