PAT16(26:1(2E)(2Me,4Me[S],6Me[S])/22:1(2E)(2Me,4Me[S],6Me[S])/25:1(2E)(2Me,4Me[S],6Me[S])/24:1(2E)(2Me,4Me[S],6Me[S]))

Properties Image MNX_ID MNXM68203 reference lipidmapsM:LMSL03000408 formula C139H258O16 global charge 0 mol weight 2185.577 InChIKey XBVLJWMKXHMNKT-IBBQFVBFSA-N InChI InChI=1S/C139H258O16/c1-18-23-28-33-38-43-48-53-57-60-63-66-71-75-80-85-90-95-100-115(8)105-119(12)109-123(16)136(146)153-131-128(142)126(112-148-134(144)121(14)107-117(10)103-113(6)98-93-88-83-78-73-69-56-51-46-41-36-31-26-21-4)150-139(133(131)151-127(141)102-97-92-87-82-77-68-52-47-42-37-32-27-22-5)155-138-132(154-137(147)124(17)110-120(13)106-116(9)101-96-91-86-81-76-72-67-64-61-58-54-49-44-39-34-29-24-19-2)129(143)130(125(111-140)149-138)152-135(145)122(15)108-118(11)104-114(7)99-94-89-84-79-74-70-65-62-59-55-50-45-40-35-30-25-20-3/h107-110,113-120,125-126,128-133,138-140,142-143H,18-106,111-112H2,1-17H3/b121-107+,122-108+,123-109+,124-110+/t113-,114-,115-,116-,117-,118-,119-,120-,125+,126+,128+,129-,130+,131-,132+,133+,138+,139+/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(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)CCCCCCCCCCCCCCCCCCCC)[C@H]2OC(=O)CCCCCCCCCCCCCCC)O[C@H](CO)[C@@H](OC(=O)/C(C)=C/[C@@H](C)C[C@@H](C)CCCCCCCCCCCCCCCCCCC)[C@@H]1O MNX internals InChI (mnx) InChI=1/C139H258O16/c1-18-23-28-33-38-43-48-53-57-60-63-66-71-75-80-85-90-95-100-115(8)105-119(12)109-123(16)136(146)153-131-128(142)126(112-148-134(144)121(14)107-117(10)103-113(6)98-93-88-83-78-73-69-56-51-46-41-36-31-26-21-4)150-139(133(131)151-127(141)102-97-92-87-82-77-68-52-47-42-37-32-27-22-5)155-138-132(154-137(147)124(17)110-120(13)106-116(9)101-96-91-86-81-76-72-67-64-61-58-54-49-44-39-34-29-24-19-2)129(143)130(125(111-140)149-138)152-135(145)122(15)108-118(11)104-114(7)99-94-89-84-79-74-70-65-62-59-55-50-45-40-35-30-25-20-3/h107-110,113-120,125-126,128-133,138-140,142-143H,18-106,111-112H2,1-17H3/b121-107+,122-108+,123-109+,124-110+/t113-,114-,115-,116-,117-,118-,119-,120-,125+,126+,128+,129-,130+,131-,132+,133+,138+,139+/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][CH2:63][CH2:66][CH2:71][CH2:75][CH2:80][CH2:85][CH2:90][CH2:95][CH2:100][C@H:115]([CH3:8])[CH2:105][C@H:119]([CH3:12])/[CH:109]=[C:123](\[CH3:16])[C:136](=[O:146])[O:153][C@H:131]1[C@H:128]([OH:142])[C@@H:126]([CH2:112][O:148][C:134](/[C:121]([CH3:14])=[CH:107]/[C@@H:117]([CH3:10])[CH2:103][C@@H:113]([CH3:6])[CH2:98][CH2:93][CH2:88][CH2:83][CH2:78][CH2:73][CH2:69][CH2:56][CH2:51][CH2:46][CH2:41][CH2:36][CH2:31][CH2:26][CH2:21][CH3:4])=[O:144])[O:150][C@H:139]([O:155][C@@H:138]2[C@H:132]([O:154][C:137](/[C:124]([CH3:17])=[CH:110]/[C@@H:120]([CH3:13])[CH2:106][C@@H:116]([CH3:9])[CH2:101][CH2:96][CH2:91][CH2:86][CH2:81][CH2:76][CH2:72][CH2:67][CH2:64][CH2:61][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:143])[C@H:130]([O:152][C:135](/[C:122]([CH3:15])=[CH:108]/[C@@H:118]([CH3:11])[CH2:104][C@@H:114]([CH3:7])[CH2:99][CH2:94][CH2:89][CH2:84][CH2:79][CH2:74][CH2:70][CH2:65][CH2:62][CH2:59][CH2:55][CH2:50][CH2:45][CH2:40][CH2:35][CH2:30][CH2:25][CH2:20][CH3:3])=[O:145])[C@@H:125]([CH2:111][OH:140])[O:149]2)[C@@H:133]1[O:151][C:127]([CH2:102][CH2:97][CH2:92][CH2:87][CH2:82][CH2:77][CH2:68][CH2:52][CH2:47][CH2:42][CH2:37][CH2:32][CH2:27][CH2:22][CH3:5])=[O:141]

Parent-child relations graph

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