| Properties | Image |
|---|
| MNX_ID | MNXM68481 |
 |
| reference | lipidmapsM:LMSL03001262 |
| formula | C138H260O18 |
| global charge | 0 |
| mol weight | 2207.58 |
| InChIKey | NIDRDPGGTHOOFF-YFOJIUSYSA-N |
| InChI | InChI=1S/C138H260O18/c1-18-23-28-33-38-43-48-53-58-61-62-66-68-73-78-83-88-93-98-111(7)103-115(11)107-119(15)134(146)155-131-128(144)129(153-133(145)118(14)106-114(10)102-110(6)97-92-87-82-77-72-67-57-52-47-42-37-32-27-22-5)122(108-139)150-137(131)156-138-132(152-124(140)101-96-91-86-81-76-71-63-56-51-46-41-36-31-26-21-4)130(154-136(148)121(17)126(142)117(13)105-113(9)100-95-90-85-80-75-70-65-60-55-50-45-40-35-30-25-20-3)127(143)123(151-138)109-149-135(147)120(16)125(141)116(12)104-112(8)99-94-89-84-79-74-69-64-59-54-49-44-39-34-29-24-19-2/h106-107,110-117,120-123,125-132,137-139,141-144H,18-105,108-109H2,1-17H3/b118-106+,119-107+/t110-,111-,112-,113-,114-,115-,116-,117-,120+,121+,122+,123+,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)CCCCCCCCCCCCCCCCC)O[C@H](CO)[C@@H](OC(=O)/C(C)=C/[C@@H](C)C[C@@H](C)CCCCCCCCCCCCCCCC)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C138H260O18/c1-18-23-28-33-38-43-48-53-58-61-62-66-68-73-78-83-88-93-98-111(7)103-115(11)107-119(15)134(146)155-131-128(144)129(153-133(145)118(14)106-114(10)102-110(6)97-92-87-82-77-72-67-57-52-47-42-37-32-27-22-5)122(108-139)150-137(131)156-138-132(152-124(140)101-96-91-86-81-76-71-63-56-51-46-41-36-31-26-21-4)130(154-136(148)121(17)126(142)117(13)105-113(9)100-95-90-85-80-75-70-65-60-55-50-45-40-35-30-25-20-3)127(143)123(151-138)109-149-135(147)120(16)125(141)116(12)104-112(8)99-94-89-84-79-74-69-64-59-54-49-44-39-34-29-24-19-2/h106-107,110-117,120-123,125-132,137-139,141-144H,18-105,108-109H2,1-17H3/b118-106+,119-107+/t110-,111-,112-,113-,114-,115-,116-,117-,120+,121+,122+,123+,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][CH2:58][CH2:61][CH2:62][CH2:66][CH2:68][CH2:73][CH2:78][CH2:83][CH2:88][CH2:93][CH2:98][C@H:111]([CH3:7])[CH2:103][C@H:115]([CH3:11])/[CH:107]=[C:119](\[CH3:15])[C:134](=[O:146])[O:155][C@@H:131]1[C@@H:128]([OH:144])[C@H:129]([O:153][C:133](/[C:118]([CH3:14])=[CH:106]/[C@@H:114]([CH3:10])[CH2:102][C@@H:110]([CH3:6])[CH2:97][CH2:92][CH2:87][CH2:82][CH2:77][CH2:72][CH2:67][CH2:57][CH2:52][CH2:47][CH2:42][CH2:37][CH2:32][CH2:27][CH2:22][CH3:5])=[O:145])[C@@H:122]([CH2:108][OH:139])[O:150][C@@H:137]1[O:156][C@@H:138]1[C@H:132]([O:152][C:124]([CH2:101][CH2:96][CH2:91][CH2:86][CH2:81][CH2:76][CH2:71][CH2:63][CH2:56][CH2:51][CH2:46][CH2:41][CH2:36][CH2:31][CH2:26][CH2:21][CH3:4])=[O:140])[C@@H:130]([O:154][C:136]([C@H:121]([CH3:17])[C@@H:126]([C@@H:117]([CH3:13])[CH2:105][C@@H:113]([CH3:9])[CH2:100][CH2:95][CH2:90][CH2:85][CH2:80][CH2:75][CH2:70][CH2:65][CH2:60][CH2:55][CH2:50][CH2:45][CH2:40][CH2:35][CH2:30][CH2:25][CH2:20][CH3:3])[OH:142])=[O:148])[C@H:127]([OH:143])[C@@H:123]([CH2:109][O:149][C:135]([C@H:120]([CH3:16])[C@@H:125]([C@@H:116]([CH3:12])[CH2:104][C@@H:112]([CH3:8])[CH2:99][CH2:94][CH2:89][CH2:84][CH2:79][CH2:74][CH2:69][CH2:64][CH2:59][CH2:54][CH2:49][CH2:44][CH2:39][CH2:34][CH2:29][CH2:24][CH2:19][CH3:2])[OH:141])=[O:147])[O:151]1 |
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