| Properties | Image |
|---|
| MNX_ID | MNXM68192 |
 |
| reference | lipidmapsM:LMSL03000415 |
| formula | C136H256O18 |
| global charge | 0 |
| mol weight | 2179.526 |
| InChIKey | HQQCXIAEGRLHLZ-HOUOKMSXSA-N |
| InChI | InChI=1S/C136H256O18/c1-18-23-28-33-38-43-48-53-57-60-61-64-67-71-76-81-86-91-96-109(7)101-113(11)105-117(15)132(144)152-128-125(141)121(107-147-131(143)116(14)104-112(10)100-108(6)95-90-85-80-75-70-66-56-51-46-41-36-31-26-21-4)149-136(130(128)150-122(138)99-94-89-84-79-74-65-52-47-42-37-32-27-22-5)154-135-129(153-134(146)119(17)124(140)115(13)103-111(9)98-93-88-83-78-73-69-63-59-55-50-45-40-35-30-25-20-3)126(142)127(120(106-137)148-135)151-133(145)118(16)123(139)114(12)102-110(8)97-92-87-82-77-72-68-62-58-54-49-44-39-34-29-24-19-2/h104-105,108-115,118-121,123-130,135-137,139-142H,18-103,106-107H2,1-17H3/b116-104+,117-105+/t108-,109-,110-,111-,112-,113-,114-,115-,118+,119+,120+,121+,123+,124+,125+,126-,127+,128-,129+,130+,135+,136+/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(C)=C/[C@@H](C)C[C@@H](C)CCCCCCCCCCCCCCCC)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@H](C)[C@H](O)[C@@H](C)C[C@@H](C)CCCCCCCCCCCCCCCCCC)[C@@H]1OC(=O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C136H256O18/c1-18-23-28-33-38-43-48-53-57-60-61-64-67-71-76-81-86-91-96-109(7)101-113(11)105-117(15)132(144)152-128-125(141)121(107-147-131(143)116(14)104-112(10)100-108(6)95-90-85-80-75-70-66-56-51-46-41-36-31-26-21-4)149-136(130(128)150-122(138)99-94-89-84-79-74-65-52-47-42-37-32-27-22-5)154-135-129(153-134(146)119(17)124(140)115(13)103-111(9)98-93-88-83-78-73-69-63-59-55-50-45-40-35-30-25-20-3)126(142)127(120(106-137)148-135)151-133(145)118(16)123(139)114(12)102-110(8)97-92-87-82-77-72-68-62-58-54-49-44-39-34-29-24-19-2/h104-105,108-115,118-121,123-130,135-137,139-142H,18-103,106-107H2,1-17H3/b116-104+,117-105+/t108-,109-,110-,111-,112-,113-,114-,115-,118+,119+,120+,121+,123+,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][CH2:57][CH2:60][CH2:61][CH2:64][CH2:67][CH2:71][CH2:76][CH2:81][CH2:86][CH2:91][CH2:96][C@H:109]([CH3:7])[CH2:101][C@H:113]([CH3:11])/[CH:105]=[C:117](\[CH3:15])[C:132](=[O:144])[O:152][C@H:128]1[C@H:125]([OH:141])[C@@H:121]([CH2:107][O:147][C:131](/[C:116]([CH3:14])=[CH:104]/[C@@H:112]([CH3:10])[CH2:100][C@@H:108]([CH3:6])[CH2:95][CH2:90][CH2:85][CH2:80][CH2:75][CH2:70][CH2:66][CH2:56][CH2:51][CH2:46][CH2:41][CH2:36][CH2:31][CH2:26][CH2:21][CH3:4])=[O:143])[O:149][C@H:136]([O:154][C@@H:135]2[C@H:129]([O:153][C:134]([C@H:119]([CH3:17])[C@@H:124]([C@@H:115]([CH3:13])[CH2:103][C@@H:111]([CH3:9])[CH2:98][CH2:93][CH2:88][CH2:83][CH2:78][CH2:73][CH2:69][CH2:63][CH2:59][CH2:55][CH2:50][CH2:45][CH2:40][CH2:35][CH2:30][CH2:25][CH2:20][CH3:3])[OH:140])=[O:146])[C@@H:126]([OH:142])[C@H:127]([O:151][C:133]([C@H:118]([CH3:16])[C@@H:123]([C@@H:114]([CH3:12])[CH2:102][C@@H:110]([CH3:8])[CH2:97][CH2:92][CH2:87][CH2:82][CH2:77][CH2:72][CH2:68][CH2:62][CH2:58][CH2:54][CH2:49][CH2:44][CH2:39][CH2:34][CH2:29][CH2:24][CH2:19][CH3:2])[OH:139])=[O:145])[C@@H:120]([CH2:106][OH:137])[O:148]2)[C@@H:130]1[O:150][C:122]([CH2:99][CH2:94][CH2:89][CH2:84][CH2:79][CH2:74][CH2:65][CH2:52][CH2:47][CH2:42][CH2:37][CH2:32][CH2:27][CH2:22][CH3:5])=[O:138] |
|