| Properties | Image |
|---|
| MNX_ID | MNXM68571 |
 |
| reference | lipidmapsM:LMSL03000777 |
| formula | C137H254O16 |
| global charge | 0 |
| mol weight | 2157.523 |
| InChIKey | FLWDNSYMKAMERQ-QRGXGVFJSA-N |
| InChI | InChI=1S/C137H254O16/c1-18-23-28-33-38-43-48-53-58-61-65-69-74-79-84-89-94-99-114(9)104-118(13)108-122(17)135(145)152-130-127(141)128(150-133(143)120(15)106-116(11)102-112(7)97-92-87-82-77-72-67-63-59-54-49-44-39-34-29-24-19-2)123(109-138)147-136(130)153-137-131(149-125(139)100-95-90-85-80-75-70-62-56-51-46-41-36-31-26-21-4)129(151-134(144)121(16)107-117(12)103-113(8)98-93-88-83-78-73-68-64-60-55-50-45-40-35-30-25-20-3)126(140)124(148-137)110-146-132(142)119(14)105-115(10)101-111(6)96-91-86-81-76-71-66-57-52-47-42-37-32-27-22-5/h105-108,111-118,123-124,126-131,136-138,140-141H,18-104,109-110H2,1-17H3/b119-105+,120-106+,121-107+,122-108+/t111-,112-,113-,114-,115-,116-,117-,118-,123+,124+,126+,127-,128+,129-,130+,131+,136+,137+/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCC[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(C)=C/[C@@H](C)C[C@@H](C)CCCCCCCCCCCCCCCC)[C@@H](O)[C@H](OC(=O)/C(C)=C/[C@@H](C)C[C@@H](C)CCCCCCCCCCCCCCCCCC)[C@H]2OC(=O)CCCCCCCCCCCCCCCCC)O[C@H](CO)[C@@H](OC(=O)/C(C)=C/[C@@H](C)C[C@@H](C)CCCCCCCCCCCCCCCCCC)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C137H254O16/c1-18-23-28-33-38-43-48-53-58-61-65-69-74-79-84-89-94-99-114(9)104-118(13)108-122(17)135(145)152-130-127(141)128(150-133(143)120(15)106-116(11)102-112(7)97-92-87-82-77-72-67-63-59-54-49-44-39-34-29-24-19-2)123(109-138)147-136(130)153-137-131(149-125(139)100-95-90-85-80-75-70-62-56-51-46-41-36-31-26-21-4)129(151-134(144)121(16)107-117(12)103-113(8)98-93-88-83-78-73-68-64-60-55-50-45-40-35-30-25-20-3)126(140)124(148-137)110-146-132(142)119(14)105-115(10)101-111(6)96-91-86-81-76-71-66-57-52-47-42-37-32-27-22-5/h105-108,111-118,123-124,126-131,136-138,140-141H,18-104,109-110H2,1-17H3/b119-105+,120-106+,121-107+,122-108+/t111-,112-,113-,114-,115-,116-,117-,118-,123+,124+,126+,127-,128+,129-,130+,131+,136+,137+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:18][CH2:23][CH2:28][CH2:33][CH2:38][CH2:43][CH2:48][CH2:53][CH2:58][CH2:61][CH2:65][CH2:69][CH2:74][CH2:79][CH2:84][CH2:89][CH2:94][CH2:99][C@H:114]([CH3:9])[CH2:104][C@H:118]([CH3:13])/[CH:108]=[C:122](\[CH3:17])[C:135](=[O:145])[O:152][C@@H:130]1[C@@H:127]([OH:141])[C@H:128]([O:150][C:133](/[C:120]([CH3:15])=[CH:106]/[C@@H:116]([CH3:11])[CH2:102][C@@H:112]([CH3:7])[CH2:97][CH2:92][CH2:87][CH2:82][CH2:77][CH2:72][CH2:67][CH2:63][CH2:59][CH2:54][CH2:49][CH2:44][CH2:39][CH2:34][CH2:29][CH2:24][CH2:19][CH3:2])=[O:143])[C@@H:123]([CH2:109][OH:138])[O:147][C@@H:136]1[O:153][C@@H:137]1[C@H:131]([O:149][C:125]([CH2:100][CH2:95][CH2:90][CH2:85][CH2:80][CH2:75][CH2:70][CH2:62][CH2:56][CH2:51][CH2:46][CH2:41][CH2:36][CH2:31][CH2:26][CH2:21][CH3:4])=[O:139])[C@@H:129]([O:151][C:134](/[C:121]([CH3:16])=[CH:107]/[C@@H:117]([CH3:12])[CH2:103][C@@H:113]([CH3:8])[CH2:98][CH2:93][CH2:88][CH2:83][CH2:78][CH2:73][CH2:68][CH2:64][CH2:60][CH2:55][CH2:50][CH2:45][CH2:40][CH2:35][CH2:30][CH2:25][CH2:20][CH3:3])=[O:144])[C@H:126]([OH:140])[C@@H:124]([CH2:110][O:146][C:132](/[C:119]([CH3:14])=[CH:105]/[C@@H:115]([CH3:10])[CH2:101][C@@H:111]([CH3:6])[CH2:96][CH2:91][CH2:86][CH2:81][CH2:76][CH2:71][CH2:66][CH2:57][CH2:52][CH2:47][CH2:42][CH2:37][CH2:32][CH2:27][CH2:22][CH3:5])=[O:142])[O:148]1 |
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