| Properties | Image |
|---|
| MNX_ID | MNXM68792 |
 |
| reference | lipidmapsM:LMSL03000990 |
| formula | C141H266O18 |
| global charge | 0 |
| mol weight | 2249.661 |
| InChIKey | DXVCURGBIFHGGF-PLTFPVFVSA-N |
| InChI | InChI=1S/C141H266O18/c1-18-23-28-33-38-43-48-53-58-62-64-69-71-76-80-85-90-95-100-113(6)105-117(10)109-121(14)136(148)152-112-126-130(146)133(157-137(149)122(15)110-118(11)106-114(7)101-96-91-86-81-75-70-68-63-59-54-49-44-39-34-29-24-19-2)135(155-127(143)104-99-94-89-84-79-74-65-57-52-47-42-37-32-27-22-5)141(154-126)159-140-134(158-139(151)124(17)129(145)120(13)108-116(9)103-98-93-88-83-78-73-67-61-56-51-46-41-36-31-26-21-4)131(147)132(125(111-142)153-140)156-138(150)123(16)128(144)119(12)107-115(8)102-97-92-87-82-77-72-66-60-55-50-45-40-35-30-25-20-3/h109-110,113-120,123-126,128-135,140-142,144-147H,18-108,111-112H2,1-17H3/b121-109+,122-110+/t113-,114-,115-,116-,117-,118-,119-,120-,123+,124+,125+,126+,128+,129+,130+,131-,132+,133-,134+,135+,140+,141+/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@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](OC(=O)CCCCCCCCCCCCCCCCC)[C@@H](OC(=O)/C(C)=C/[C@@H](C)C[C@@H](C)CCCCCCCCCCCCCCCCCCC)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C141H266O18/c1-18-23-28-33-38-43-48-53-58-62-64-69-71-76-80-85-90-95-100-113(6)105-117(10)109-121(14)136(148)152-112-126-130(146)133(157-137(149)122(15)110-118(11)106-114(7)101-96-91-86-81-75-70-68-63-59-54-49-44-39-34-29-24-19-2)135(155-127(143)104-99-94-89-84-79-74-65-57-52-47-42-37-32-27-22-5)141(154-126)159-140-134(158-139(151)124(17)129(145)120(13)108-116(9)103-98-93-88-83-78-73-67-61-56-51-46-41-36-31-26-21-4)131(147)132(125(111-142)153-140)156-138(150)123(16)128(144)119(12)107-115(8)102-97-92-87-82-77-72-66-60-55-50-45-40-35-30-25-20-3/h109-110,113-120,123-126,128-135,140-142,144-147H,18-108,111-112H2,1-17H3/b121-109+,122-110+/t113-,114-,115-,116-,117-,118-,119-,120-,123+,124+,125+,126+,128+,129+,130+,131-,132+,133-,134+,135+,140+,141+/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][CH2:64][CH2:69][CH2:71][CH2:76][CH2:80][CH2:85][CH2:90][CH2:95][CH2:100][C@H:113]([CH3:6])[CH2:105][C@H:117]([CH3:10])/[CH:109]=[C:121](\[CH3:14])[C:136](=[O:148])[O:152][CH2:112][C@@H:126]1[C@@H:130]([OH:146])[C@H:133]([O:157][C:137](/[C:122]([CH3:15])=[CH:110]/[C@@H:118]([CH3:11])[CH2:106][C@@H:114]([CH3:7])[CH2:101][CH2:96][CH2:91][CH2:86][CH2:81][CH2:75][CH2:70][CH2:68][CH2:63][CH2:59][CH2:54][CH2:49][CH2:44][CH2:39][CH2:34][CH2:29][CH2:24][CH2:19][CH3:2])=[O:149])[C@@H:135]([O:155][C:127]([CH2:104][CH2:99][CH2:94][CH2:89][CH2:84][CH2:79][CH2:74][CH2:65][CH2:57][CH2:52][CH2:47][CH2:42][CH2:37][CH2:32][CH2:27][CH2:22][CH3:5])=[O:143])[C@@H:141]([O:159][C@@H:140]2[C@H:134]([O:158][C:139]([C@H:124]([CH3:17])[C@@H:129]([C@@H:120]([CH3:13])[CH2:108][C@@H:116]([CH3:9])[CH2:103][CH2:98][CH2:93][CH2:88][CH2:83][CH2:78][CH2:73][CH2:67][CH2:61][CH2:56][CH2:51][CH2:46][CH2:41][CH2:36][CH2:31][CH2:26][CH2:21][CH3:4])[OH:145])=[O:151])[C@@H:131]([OH:147])[C@H:132]([O:156][C:138]([C@H:123]([CH3:16])[C@@H:128]([C@@H:119]([CH3:12])[CH2:107][C@@H:115]([CH3:8])[CH2:102][CH2:97][CH2:92][CH2:87][CH2:82][CH2:77][CH2:72][CH2:66][CH2:60][CH2:55][CH2:50][CH2:45][CH2:40][CH2:35][CH2:30][CH2:25][CH2:20][CH3:3])[OH:144])=[O:150])[C@@H:125]([CH2:111][OH:142])[O:153]2)[O:154]1 |
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