PAT16(22:1(2E)(2Me,4Me[S],6Me[S])/26:1(2E)(2Me,4Me[S],6Me[S])/25:1(2E)(2Me,4Me[S],6Me[S])/26:1(2E)(2Me,4Me[S],6Me[S]))

Properties Image MNX_ID MNXM67805 reference lipidmapsM:LMSL03000110 formula C138H258O17 global charge 0 mol weight 2189.565 InChIKey QRGDFJGJLKXUAJ-NJTKQYQSSA-N InChI InChI=1S/C138H258O17/c1-18-23-28-33-38-43-48-53-57-60-62-65-69-73-78-82-87-92-97-111(6)102-115(10)106-119(14)133(144)148-110-124-127(142)130(153-134(145)120(15)107-116(11)103-112(7)98-93-88-83-77-72-68-56-51-46-41-36-31-26-21-4)132(151-125(140)101-96-91-86-81-76-67-52-47-42-37-32-27-22-5)138(150-124)155-137-131(154-135(146)121(16)108-117(12)104-113(8)99-94-89-84-79-74-70-66-63-61-58-54-49-44-39-34-29-24-19-2)128(143)129(123(109-139)149-137)152-136(147)122(17)126(141)118(13)105-114(9)100-95-90-85-80-75-71-64-59-55-50-45-40-35-30-25-20-3/h106-108,111-118,122-124,126-132,137-139,141-143H,18-105,109-110H2,1-17H3/b119-106+,120-107+,121-108+/t111-,112-,113-,114-,115-,116-,117-,118-,122+,123+,124+,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)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(C)=C/[C@@H](C)C[C@@H](C)CCCCCCCCCCCCCCCCCCCC)[C@H](OC(=O)CCCCCCCCCCCCCCC)[C@@H](OC(=O)/C(C)=C/[C@@H](C)C[C@@H](C)CCCCCCCCCCCCCCCC)[C@@H]1O MNX internals InChI (mnx) InChI=1/C138H258O17/c1-18-23-28-33-38-43-48-53-57-60-62-65-69-73-78-82-87-92-97-111(6)102-115(10)106-119(14)133(144)148-110-124-127(142)130(153-134(145)120(15)107-116(11)103-112(7)98-93-88-83-77-72-68-56-51-46-41-36-31-26-21-4)132(151-125(140)101-96-91-86-81-76-67-52-47-42-37-32-27-22-5)138(150-124)155-137-131(154-135(146)121(16)108-117(12)104-113(8)99-94-89-84-79-74-70-66-63-61-58-54-49-44-39-34-29-24-19-2)128(143)129(123(109-139)149-137)152-136(147)122(17)126(141)118(13)105-114(9)100-95-90-85-80-75-71-64-59-55-50-45-40-35-30-25-20-3/h106-108,111-118,122-124,126-132,137-139,141-143H,18-105,109-110H2,1-17H3/b119-106+,120-107+,121-108+/t111-,112-,113-,114-,115-,116-,117-,118-,122+,123+,124+,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][CH2:57][CH2:60][CH2:62][CH2:65][CH2:69][CH2:73][CH2:78][CH2:82][CH2:87][CH2:92][CH2:97][C@H:111]([CH3:6])[CH2:102][C@H:115]([CH3:10])/[CH:106]=[C:119](\[CH3:14])[C:133](=[O:144])[O:148][CH2:110][C@@H:124]1[C@@H:127]([OH:142])[C@H:130]([O:153][C:134](/[C:120]([CH3:15])=[CH:107]/[C@@H:116]([CH3:11])[CH2:103][C@@H:112]([CH3:7])[CH2:98][CH2:93][CH2:88][CH2:83][CH2:77][CH2:72][CH2:68][CH2:56][CH2:51][CH2:46][CH2:41][CH2:36][CH2:31][CH2:26][CH2:21][CH3:4])=[O:145])[C@@H:132]([O:151][C:125]([CH2:101][CH2:96][CH2:91][CH2:86][CH2:81][CH2:76][CH2:67][CH2:52][CH2:47][CH2:42][CH2:37][CH2:32][CH2:27][CH2:22][CH3:5])=[O:140])[C@@H:138]([O:155][C@@H:137]2[C@H:131]([O:154][C:135](/[C:121]([CH3:16])=[CH:108]/[C@@H:117]([CH3:12])[CH2:104][C@@H:113]([CH3:8])[CH2:99][CH2:94][CH2:89][CH2:84][CH2:79][CH2:74][CH2:70][CH2:66][CH2:63][CH2:61][CH2:58][CH2:54][CH2:49][CH2:44][CH2:39][CH2:34][CH2:29][CH2:24][CH2:19][CH3:2])=[O:146])[C@@H:128]([OH:143])[C@H:129]([O:152][C:136]([C@H:122]([CH3:17])[C@@H:126]([C@@H:118]([CH3:13])[CH2:105][C@@H:114]([CH3:9])[CH2:100][CH2:95][CH2:90][CH2:85][CH2:80][CH2:75][CH2:71][CH2:64][CH2:59][CH2:55][CH2:50][CH2:45][CH2:40][CH2:35][CH2:30][CH2:25][CH2:20][CH3:3])[OH:141])=[O:147])[C@@H:123]([CH2:109][OH:139])[O:149]2)[O:150]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0