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

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

PropertiesImage
MNX_IDMNXM1584535 Image of MNXM1584535
referencelipidmapsM:LMSL03000055
formulaC136H252O16
global charge0
mol weight2143.496
InChIKeyBRZOSWPVQRDHNY-ANAVYACYSA-N
InChIInChI=1S/C136H252O16/c1-18-23-28-33-38-43-48-53-57-60-61-64-69-73-78-82-86-91-96-111(7)101-115(11)105-119(15)132(142)149-127-122(108-137)146-135(129(126(127)140)151-134(144)121(17)107-117(13)103-113(9)98-93-88-83-77-72-68-63-59-55-50-45-40-35-30-25-20-3)152-136-130(148-124(138)99-94-89-84-79-74-65-52-47-42-37-32-27-22-5)128(150-133(143)120(16)106-116(12)102-112(8)97-92-87-81-75-70-66-56-51-46-41-36-31-26-21-4)125(139)123(147-136)109-145-131(141)118(14)104-114(10)100-110(6)95-90-85-80-76-71-67-62-58-54-49-44-39-34-29-24-19-2/h104-107,110-117,122-123,125-130,135-137,139-140H,18-103,108-109H2,1-17H3/b118-104+,119-105+,120-106+,121-107+/t110-,111-,112-,113-,114-,115-,116-,117-,122+,123+,125+,126-,127+,128-,129+,130+,135+,136+/m0/s1
SMILESCCCCCCCCCCCCCCCCCCCC[C@H](C)C[C@H](C)/C=C(\C)C(=O)O[C@H]1[C@H](O)[C@@H](OC(=O)/C(C)=C/[C@@H](C)C[C@@H](C)CCCCCCCCCCCCCCCCCC)[C@@H](O[C@H]2O[C@H](COC(=O)/C(C)=C/[C@@H](C)C[C@@H](C)CCCCCCCCCCCCCCCCCC)[C@@H](O)[C@H](OC(=O)/C(C)=C/[C@@H](C)C[C@@H](C)CCCCCCCCCCCCCCCC)[C@H]2OC(=O)CCCCCCCCCCCCCCC)O[C@@H]1CO
MNX internals
InChI (mnx)InChI=1/C136H252O16/c1-18-23-28-33-38-43-48-53-57-60-61-64-69-73-78-82-86-91-96-111(7)101-115(11)105-119(15)132(142)149-127-122(108-137)146-135(129(126(127)140)151-134(144)121(17)107-117(13)103-113(9)98-93-88-83-77-72-68-63-59-55-50-45-40-35-30-25-20-3)152-136-130(148-124(138)99-94-89-84-79-74-65-52-47-42-37-32-27-22-5)128(150-133(143)120(16)106-116(12)102-112(8)97-92-87-81-75-70-66-56-51-46-41-36-31-26-21-4)125(139)123(147-136)109-145-131(141)118(14)104-114(10)100-110(6)95-90-85-80-76-71-67-62-58-54-49-44-39-34-29-24-19-2/h104-107,110-117,122-123,125-130,135-137,139-140H,18-103,108-109H2,1-17H3/b118-104+,119-105+,120-106+,121-107+/t110-,111-,112-,113-,114-,115-,116-,117-,122+,123+,125+,126-,127+,128-,129+,130+,135+,136+/m0/s1 Image of MNXM1584535
SMILES (mnx)[CH3:1][CH2:18][CH2:23][CH2:28][CH2:33][CH2:38][CH2:43][CH2:48][CH2:53][CH2:57][CH2:60][CH2:61][CH2:64][CH2:69][CH2:73][CH2:78][CH2:82][CH2:86][CH2:91][CH2:96][C@H:111]([CH3:7])[CH2:101][C@H:115]([CH3:11])/[CH:105]=[C:119](\[CH3:15])[C:132](=[O:142])[O:149][C@@H:127]1[C@@H:122]([CH2:108][OH:137])[O:146][C@H:135]([O:152][C@@H:136]2[C@H:130]([O:148][C:124]([CH2:99][CH2:94][CH2:89][CH2:84][CH2:79][CH2:74][CH2:65][CH2:52][CH2:47][CH2:42][CH2:37][CH2:32][CH2:27][CH2:22][CH3:5])=[O:138])[C@@H:128]([O:150][C:133](/[C:120]([CH3:16])=[CH:106]/[C@@H:116]([CH3:12])[CH2:102][C@@H:112]([CH3:8])[CH2:97][CH2:92][CH2:87][CH2:81][CH2:75][CH2:70][CH2:66][CH2:56][CH2:51][CH2:46][CH2:41][CH2:36][CH2:31][CH2:26][CH2:21][CH3:4])=[O:143])[C@H:125]([OH:139])[C@@H:123]([CH2:109][O:145][C:131](/[C:118]([CH3:14])=[CH:104]/[C@@H:114]([CH3:10])[CH2:100][C@@H:110]([CH3:6])[CH2:95][CH2:90][CH2:85][CH2:80][CH2:76][CH2:71][CH2:67][CH2:62][CH2:58][CH2:54][CH2:49][CH2:44][CH2:39][CH2:34][CH2:29][CH2:24][CH2:19][CH3:2])=[O:141])[O:147]2)[C@H:129]([O:151][C:134](/[C:121]([CH3:17])=[CH:107]/[C@@H:117]([CH3:13])[CH2:103][C@@H:113]([CH3:9])[CH2:98][CH2:93][CH2:88][CH2:83][CH2:77][CH2:72][CH2:68][CH2:63][CH2:59][CH2:55][CH2:50][CH2:45][CH2:40][CH2:35][CH2:30][CH2:25][CH2:20][CH3:3])=[O:144])[C@H:126]1[OH:140]
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:LMSL03000055
lipidmapsM:LMSL03000055
BRZOSWPVQRDHNY-ANAVYACYSA-N 		PAT16(22:1(2E)(2Me,4Me[S],6Me[S])/24:1(2E)(2Me,4Me[S],6Me[S])/24:1(2E)(2Me,4Me[S],6Me[S])/26:1(2E)(2Me,4Me[S],6Me[S]))
2-O-hexadecanoyl-3-O-(2,4S,6S-trimethyl-2E-docosenoyl)-6-O-(2,4S,6S-trimethyl-2E-tetracosenoyl)-2'-O-(2,4S,6S-trimethyl-2E-tetracosenoyl)-4'-O-(2,4S,6S-trimethyl-2E-hexacosenoyl)-alpha,alpha-trehalose