| Properties | Image |
|---|
| MNX_ID | MNXM68105 |
 |
| reference | lipidmapsM:LMSL03000385 |
| formula | C140H262O17 |
| global charge | 0 |
| mol weight | 2217.619 |
| InChIKey | HNNYBAHPYXMKDS-JDZXRACGSA-N |
| InChI | InChI=1S/C140H262O17/c1-18-23-28-33-38-43-48-53-57-61-64-68-72-76-81-84-89-94-99-113(6)104-117(10)108-121(14)135(146)154-131-125(111-141)151-139(133(130(131)145)156-137(148)123(16)110-119(12)106-115(8)101-96-91-86-80-75-71-67-63-59-55-50-45-40-35-30-25-20-3)157-140-134(153-127(142)103-98-93-88-83-78-69-52-47-42-37-32-27-22-5)132(155-136(147)122(15)109-118(11)105-114(7)100-95-90-85-79-74-70-66-62-58-54-49-44-39-34-29-24-19-2)129(144)126(152-140)112-150-138(149)124(17)128(143)120(13)107-116(9)102-97-92-87-82-77-73-65-60-56-51-46-41-36-31-26-21-4/h108-110,113-120,124-126,128-134,139-141,143-145H,18-107,111-112H2,1-17H3/b121-108+,122-109+,123-110+/t113-,114-,115-,116-,117-,118-,119-,120-,124+,125+,126+,128+,129+,130-,131+,132-,133+,134+,139+,140+/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](OC(=O)/C(C)=C/[C@@H](C)C[C@@H](C)CCCCCCCCCCCCCCCCCCC)[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(C)=C/[C@@H](C)C[C@@H](C)CCCCCCCCCCCCCCCCCCC)[C@H]2OC(=O)CCCCCCCCCCCCCCC)O[C@@H]1CO |
MNX internals
| InChI (mnx) | InChI=1/C140H262O17/c1-18-23-28-33-38-43-48-53-57-61-64-68-72-76-81-84-89-94-99-113(6)104-117(10)108-121(14)135(146)154-131-125(111-141)151-139(133(130(131)145)156-137(148)123(16)110-119(12)106-115(8)101-96-91-86-80-75-71-67-63-59-55-50-45-40-35-30-25-20-3)157-140-134(153-127(142)103-98-93-88-83-78-69-52-47-42-37-32-27-22-5)132(155-136(147)122(15)109-118(11)105-114(7)100-95-90-85-79-74-70-66-62-58-54-49-44-39-34-29-24-19-2)129(144)126(152-140)112-150-138(149)124(17)128(143)120(13)107-116(9)102-97-92-87-82-77-73-65-60-56-51-46-41-36-31-26-21-4/h108-110,113-120,124-126,128-134,139-141,143-145H,18-107,111-112H2,1-17H3/b121-108+,122-109+,123-110+/t113-,114-,115-,116-,117-,118-,119-,120-,124+,125+,126+,128+,129+,130-,131+,132-,133+,134+,139+,140+/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][CH2:64][CH2:68][CH2:72][CH2:76][CH2:81][CH2:84][CH2:89][CH2:94][CH2:99][C@H:113]([CH3:6])[CH2:104][C@H:117]([CH3:10])/[CH:108]=[C:121](\[CH3:14])[C:135](=[O:146])[O:154][C@@H:131]1[C@@H:125]([CH2:111][OH:141])[O:151][C@H:139]([O:157][C@@H:140]2[C@H:134]([O:153][C:127]([CH2:103][CH2:98][CH2:93][CH2:88][CH2:83][CH2:78][CH2:69][CH2:52][CH2:47][CH2:42][CH2:37][CH2:32][CH2:27][CH2:22][CH3:5])=[O:142])[C@@H:132]([O:155][C:136](/[C:122]([CH3:15])=[CH:109]/[C@@H:118]([CH3:11])[CH2:105][C@@H:114]([CH3:7])[CH2:100][CH2:95][CH2:90][CH2:85][CH2:79][CH2:74][CH2:70][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:144])[C@@H:126]([CH2:112][O:150][C:138]([C@H:124]([CH3:17])[C@@H:128]([C@@H:120]([CH3:13])[CH2:107][C@@H:116]([CH3:9])[CH2:102][CH2:97][CH2:92][CH2:87][CH2:82][CH2:77][CH2:73][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])[O:152]2)[C@H:133]([O:156][C:137](/[C:123]([CH3:16])=[CH:110]/[C@@H:119]([CH3:12])[CH2:106][C@@H:115]([CH3:8])[CH2:101][CH2:96][CH2:91][CH2:86][CH2:80][CH2:75][CH2:71][CH2:67][CH2:63][CH2:59][CH2:55][CH2:50][CH2:45][CH2:40][CH2:35][CH2:30][CH2:25][CH2:20][CH3:3])=[O:148])[C@H:130]1[OH:145] |
|