Search MNXref
**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**
 Feedback

PAT16(26:1(2E)(2Me,4Me[S],6Me[S])/26:1(2E)(2Me,4Me[S],6Me[S])/24:0(2Me[R],3OH[R],4Me[S],6Me[S])/26:1(2E)(2Me,4Me[S],6Me[S]))

PropertiesImage
MNX_IDMNXM1584734 Image of MNXM1584734
referencelipidmapsM:LMSL03000495
formulaC142H266O17
global charge0
mol weight2245.673
InChIKeyQEWURYVQCRKQSQ-YSWPYMMDSA-N
InChIInChI=1S/C142H266O17/c1-18-23-28-33-38-43-48-53-57-61-64-68-72-76-81-86-91-96-101-115(6)106-119(10)110-123(14)137(148)152-114-128-131(146)134(157-139(150)125(16)112-121(12)108-117(8)103-98-93-88-83-78-74-70-66-63-59-55-50-45-40-35-30-25-20-3)136(155-129(144)105-100-95-90-85-80-71-52-47-42-37-32-27-22-5)142(154-128)159-141-135(158-140(151)126(17)130(145)122(13)109-118(9)104-99-94-89-84-79-75-67-60-56-51-46-41-36-31-26-21-4)132(147)133(127(113-143)153-141)156-138(149)124(15)111-120(11)107-116(7)102-97-92-87-82-77-73-69-65-62-58-54-49-44-39-34-29-24-19-2/h110-112,115-122,126-128,130-136,141-143,145-147H,18-109,113-114H2,1-17H3/b123-110+,124-111+,125-112+/t115-,116-,117-,118-,119-,120-,121-,122-,126+,127+,128+,130+,131+,132-,133+,134-,135+,136+,141+,142+/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@H](C)[C@H](O)[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)CCCCCCCCCCCCCCCCCCCC)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C142H266O17/c1-18-23-28-33-38-43-48-53-57-61-64-68-72-76-81-86-91-96-101-115(6)106-119(10)110-123(14)137(148)152-114-128-131(146)134(157-139(150)125(16)112-121(12)108-117(8)103-98-93-88-83-78-74-70-66-63-59-55-50-45-40-35-30-25-20-3)136(155-129(144)105-100-95-90-85-80-71-52-47-42-37-32-27-22-5)142(154-128)159-141-135(158-140(151)126(17)130(145)122(13)109-118(9)104-99-94-89-84-79-75-67-60-56-51-46-41-36-31-26-21-4)132(147)133(127(113-143)153-141)156-138(149)124(15)111-120(11)107-116(7)102-97-92-87-82-77-73-69-65-62-58-54-49-44-39-34-29-24-19-2/h110-112,115-122,126-128,130-136,141-143,145-147H,18-109,113-114H2,1-17H3/b123-110+,124-111+,125-112+/t115-,116-,117-,118-,119-,120-,121-,122-,126+,127+,128+,130+,131+,132-,133+,134-,135+,136+,141+,142+/m0/s1 Image of MNXM1584734
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][CH2:72][CH2:76][CH2:81][CH2:86][CH2:91][CH2:96][CH2:101][C@H:115]([CH3:6])[CH2:106][C@H:119]([CH3:10])/[CH:110]=[C:123](\[CH3:14])[C:137](=[O:148])[O:152][CH2:114][C@@H:128]1[C@@H:131]([OH:146])[C@H:134]([O:157][C:139](/[C:125]([CH3:16])=[CH:112]/[C@@H:121]([CH3:12])[CH2:108][C@@H:117]([CH3:8])[CH2:103][CH2:98][CH2:93][CH2:88][CH2:83][CH2:78][CH2:74][CH2:70][CH2:66][CH2:63][CH2:59][CH2:55][CH2:50][CH2:45][CH2:40][CH2:35][CH2:30][CH2:25][CH2:20][CH3:3])=[O:150])[C@@H:136]([O:155][C:129]([CH2:105][CH2:100][CH2:95][CH2:90][CH2:85][CH2:80][CH2:71][CH2:52][CH2:47][CH2:42][CH2:37][CH2:32][CH2:27][CH2:22][CH3:5])=[O:144])[C@@H:142]([O:159][C@@H:141]2[C@H:135]([O:158][C:140]([C@H:126]([CH3:17])[C@@H:130]([C@@H:122]([CH3:13])[CH2:109][C@@H:118]([CH3:9])[CH2:104][CH2:99][CH2:94][CH2:89][CH2:84][CH2:79][CH2:75][CH2:67][CH2:60][CH2:56][CH2:51][CH2:46][CH2:41][CH2:36][CH2:31][CH2:26][CH2:21][CH3:4])[OH:145])=[O:151])[C@@H:132]([OH:147])[C@H:133]([O:156][C:138](/[C:124]([CH3:15])=[CH:111]/[C@@H:120]([CH3:11])[CH2:107][C@@H:116]([CH3:7])[CH2:102][CH2:97][CH2:92][CH2:87][CH2:82][CH2:77][CH2:73][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:149])[C@@H:127]([CH2:113][OH:143])[O:153]2)[O:154]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:LMSL03000495
lipidmapsM:LMSL03000495
QEWURYVQCRKQSQ-YSWPYMMDSA-N 		PAT16(26:1(2E)(2Me,4Me[S],6Me[S])/26:1(2E)(2Me,4Me[S],6Me[S])/24:0(2Me[R],3OH[R],4Me[S],6Me[S])/26:1(2E)(2Me,4Me[S],6Me[S]))
2-O-hexadecanoyl-3-O-(2,4S,6S-trimethyl-2E-hexacosenoyl)-6-O-(2,4S,6S-trimethyl-2E-hexacosenoyl)-2'-O-(2R,4S,6S-trimethyl-3R-hydroxy-tetracosanoyl)-4'-O-(2,4S,6S-trimethyl-2E-hexacosenoyl)-alpha,alpha-trehalose