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

PropertiesImage
MNX_IDMNXM68164 Image of MNXM68164
referencelipidmapsM:LMSL03000349
formulaC141H262O16
global charge0
mol weight2213.631
InChIKeyJMYQJXLXYUBSOP-KALTYBNISA-N
InChIInChI=1S/C141H262O16/c1-18-23-28-33-38-43-48-53-57-61-64-68-73-77-80-85-90-95-100-115(6)105-119(10)109-123(14)136(146)150-114-128-130(144)133(155-138(148)125(16)111-121(12)107-117(8)102-97-92-87-82-76-72-67-63-59-55-50-45-40-35-30-25-20-3)135(153-129(143)104-99-94-89-84-79-70-52-47-42-37-32-27-22-5)141(152-128)157-140-134(156-139(149)126(17)112-122(13)108-118(9)103-98-93-88-81-75-71-66-60-56-51-46-41-36-31-26-21-4)131(145)132(127(113-142)151-140)154-137(147)124(15)110-120(11)106-116(7)101-96-91-86-83-78-74-69-65-62-58-54-49-44-39-34-29-24-19-2/h109-112,115-122,127-128,130-135,140-142,144-145H,18-108,113-114H2,1-17H3/b123-109+,124-110+,125-111+,126-112+/t115-,116-,117-,118-,119-,120-,121-,122-,127+,128+,130+,131-,132+,133-,134+,135+,140+,141+/m0/s1
SMILESCCCCCCCCCCCCCCCCCCCC[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(C)=C/[C@@H](C)C[C@@H](C)CCCCCCCCCCCCCCCCCCCC)[C@H](O)[C@H]2OC(=O)/C(C)=C/[C@@H](C)C[C@@H](C)CCCCCCCCCCCCCCCCCC)[C@H](OC(=O)CCCCCCCCCCCCCCC)[C@@H](OC(=O)/C(C)=C/[C@@H](C)C[C@@H](C)CCCCCCCCCCCCCCCCCCC)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C141H262O16/c1-18-23-28-33-38-43-48-53-57-61-64-68-73-77-80-85-90-95-100-115(6)105-119(10)109-123(14)136(146)150-114-128-130(144)133(155-138(148)125(16)111-121(12)107-117(8)102-97-92-87-82-76-72-67-63-59-55-50-45-40-35-30-25-20-3)135(153-129(143)104-99-94-89-84-79-70-52-47-42-37-32-27-22-5)141(152-128)157-140-134(156-139(149)126(17)112-122(13)108-118(9)103-98-93-88-81-75-71-66-60-56-51-46-41-36-31-26-21-4)131(145)132(127(113-142)151-140)154-137(147)124(15)110-120(11)106-116(7)101-96-91-86-83-78-74-69-65-62-58-54-49-44-39-34-29-24-19-2/h109-112,115-122,127-128,130-135,140-142,144-145H,18-108,113-114H2,1-17H3/b123-109+,124-110+,125-111+,126-112+/t115-,116-,117-,118-,119-,120-,121-,122-,127+,128+,130+,131-,132+,133-,134+,135+,140+,141+/m0/s1 Image of MNXM68164
SMILES (mnx)[CH3:1][CH2:18][CH2:23][CH2:28][CH2:33][CH2:38][CH2:43][CH2:48][CH2:53][CH2:57][CH2:61][CH2:64][CH2:68][CH2:73][CH2:77][CH2:80][CH2:85][CH2:90][CH2:95][CH2:100][C@H:115]([CH3:6])[CH2:105][C@H:119]([CH3:10])/[CH:109]=[C:123](\[CH3:14])[C:136](=[O:146])[O:150][CH2:114][C@@H:128]1[C@@H:130]([OH:144])[C@H:133]([O:155][C:138](/[C:125]([CH3:16])=[CH:111]/[C@@H:121]([CH3:12])[CH2:107][C@@H:117]([CH3:8])[CH2:102][CH2:97][CH2:92][CH2:87][CH2:82][CH2:76][CH2:72][CH2:67][CH2:63][CH2:59][CH2:55][CH2:50][CH2:45][CH2:40][CH2:35][CH2:30][CH2:25][CH2:20][CH3:3])=[O:148])[C@@H:135]([O:153][C:129]([CH2:104][CH2:99][CH2:94][CH2:89][CH2:84][CH2:79][CH2:70][CH2:52][CH2:47][CH2:42][CH2:37][CH2:32][CH2:27][CH2:22][CH3:5])=[O:143])[C@@H:141]([O:157][C@@H:140]2[C@H:134]([O:156][C:139](/[C:126]([CH3:17])=[CH:112]/[C@@H:122]([CH3:13])[CH2:108][C@@H:118]([CH3:9])[CH2:103][CH2:98][CH2:93][CH2:88][CH2:81][CH2:75][CH2:71][CH2:66][CH2:60][CH2:56][CH2:51][CH2:46][CH2:41][CH2:36][CH2:31][CH2:26][CH2:21][CH3:4])=[O:149])[C@@H:131]([OH:145])[C@H:132]([O:154][C:137](/[C:124]([CH3:15])=[CH:110]/[C@@H:120]([CH3:11])[CH2:106][C@@H:116]([CH3:7])[CH2:101][CH2:96][CH2:91][CH2:86][CH2:83][CH2:78][CH2:74][CH2:69][CH2:65][CH2:62][CH2:58][CH2:54][CH2:49][CH2:44][CH2:39][CH2:34][CH2:29][CH2:24][CH2:19][CH3:2])=[O:147])[C@@H:127]([CH2:113][OH:142])[O:151]2)[O:152]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

lipidmaps:LMSL03000349
lipidmapsM:LMSL03000349
JMYQJXLXYUBSOP-KALTYBNISA-N
PAT16(25:1(2E)(2Me,4Me[S],6Me[S])/26:1(2E)(2Me,4Me[S],6Me[S])/22:1(2E)(2Me,4Me[S],6Me[S])/25:1(2E)(2Me,4Me[S],6Me[S]))
2-O-hexadecanoyl-3-O-(2,4S,6S-trimethyl-2E-pentacosenoyl)-6-O-(2,4S,6S-trimethyl-2E-hexacosenoyl)-2'-O-(2,4S,6S-trimethyl-2E-docosenoyl)-4'-O-(2,4S,6S-trimethyl-2E-pentacosenoyl)-alpha,alpha-trehalose